aaanalysis.load_scales
- aaanalysis.load_scales(name='scales', just_aaindex=False, unclassified_out=False, top60_n=None)[source]
Loads amino acid scales or their classification (AAontology).
The amino acid scales (
name='scales_raw') encompass all scales from AAindex ([Kawashima08]) along with two additional data sources. These scales were min-max normalized (name='scales') and organized in a two-level classification called AAontology (name='scales_cat'), as detailed in [Breimann24b]. The first 20 principal components (PCs) of all compressed scales are provided (name='scales_pc') and were used for an in-depth analysis of redundancy-reduced scale subsets obtained byAAclust([Breimann24a]). The top 60 scale sets from this analysis are available either collectively (name='top60') or individually (top60_n='1-60'), accompanied by their evaluations in the'top60_eval'dataset.- Parameters:
name (
str) –Name of the loaded dataset:
scales_raw: All amino acid scales.scales: Min-max normlized raw scales.scales_cat: Two-level classification (AAontology).scales_pc: First 20 PCs of compressed scales.top60: Selection of 60 best performing scale sets.top60_eval: Evaluation of 60 best performing scale sets.
Or Number between 1 and 60 to select the i-th top60 dataset.
just_aaindex (
bool) – If True, returns only scales from AAindex. Relevant only for ‘scales’, ‘scales_raw’, or ‘scales_cat’.unclassified_out (
bool) – Determines exclusion of unclassified scales. Relevant only for ‘scales’, ‘scales_raw’, or ‘scales_cat’.top60_n (
Optional[int]) – Select the n-th scale set from top60 sets and return it for ‘scales’, ‘scales_raw’, or ‘scales_cat’.
- Returns:
DataFrame containing the chosen dataset, recommended to be named by their name suffix (
df_scales,df_cat).- Return type:
Notes
df_catincludes the following columns:‘scale_id’: ID of scale (from AAindex or following the same naming convention).
‘category’: Category of scale (defined in AAontology).
‘subcategory’: Subcategory of scale (AAontology).
‘scale_name’: Name of scale derived from scale description.
‘scale_description’: Description of scale (derived from AAindex).
Scales under the ‘Others’ category are considered unclassified.
See also
Overview of all loading options: Amino Acid Scale Datasets.
AAontology: Categories and Subcategories tables.
Step-by-step guide in the Scale Loading Tutorial.
AAclustfor customizing redundancy-reduced scale sets.
Examples
You can load all scales from
AAontology(see [Breimann24b]_) and their description using theload_scales()function. The min-max normalized numerical scales are provided by default:import aaanalysis as aa df_scales = aa.load_scales() aa.display_df(df_scales, show_shape=True)
DataFrame shape: (20, 586)
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0.549000 0.450000 0.390000 0.667000 0.339000 0.318000 0.818000 0.160000 0.506000 0.264000 0.263000 0.295000 0.135000 0.395000 0.314000 0.176000 0.256000 0.045000 0.000000 0.014000 0.233000 0.795000 0.367000 0.444000 0.786000 0.356000 0.647000 0.135000 0.117000 0.430000 0.400000 0.190000 0.000000 0.550000 0.042000 0.918000 0.341000 0.574000 0.242000 0.372000 0.740000 0.489000 0.703000 0.578000 0.442000 0.596000 0.375000 0.500000 0.750000 0 0 0.798000 0.571000 0.154000 0.024000 0.300000 0.562000 0.046000 0.484000 0.220000 0.560000 0.692000 0.455000 0.740000 0.419000 0.333000 0.762000 0.294000 0.229000 0.197000 0.531000 0.324000 0.691000 0.491000 0.762000 0.312000 0.562000 0.445000 0.501000 0.505000 0.723000 0.311000 0.336000 0.155000 0.268000 0.543000 0.284000 0.212000 0.608000 0.183000 0.638000 0.055000 0.407000 0.000000 0.825000 0.351000 0.641000 0.356000 0.352000 0.646000 0.398000 0.574000 0.260000 0.984000 0.718000 0.323000 0.173000 0.500000 0.798000 0.711000 0.608000 0.555000 0.111000 0.190000 0.562000 0.694000 0.967000 0.094000 0.650000 0.529000 0.140000 0.789000 0.188000 0.380000 0.605000 0.420000 0.348000 0.277000 0.390000 0.000000 0.571000 0.187000 0.628000 0.380000 0.170000 0.181000 0.107000 0.484000 0.413000 0.380000 0.195000 0.061000 0.055000 0.889000 0.760000 0.023000 0.166000 0.516000 0.702000 0.271000 0.338000 0.469000 0.089000 0.191000 0.077000 0.203000 0.123000 0.145000 0.213000 0.200000 0.035000 0.037000 0.087000 0.506000 0.404000 0.438000 0.330000 0.036000 0.593000 0.351000 0.053000 0.192000 0.145000 0.000000 0.778000 0.596000 0.805000 0.672000 0.488000 0.534000 0.770000 0.199000 0.725000 0.430000 0.512000 0.747000 0.500000 0.395000 0.402000 0.398000 0.357000 0.541000 0.975000 0.394000 0.416000 0.039000 0.545000 0.627000 0.556000 0.194000 0.800000 0.144000 0.112000 0.182000 0.266000 0.073000 0.049000 0.351000 0.154000 0.191000 0.566000 0.265000 0.587000 0.488000 0.789000 0.188000 0.382000 0.783000 0.211000 0.431000 0.381000 0.187000 0.816000 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0.110000 0.085000 0.683000 0.339000 0.094000 0.843000 0.891000 0.077000 0.120000 0.161000 0.122000 0.084000 0.000000 0.080000 0.924000 0.674000 0.715000 0.739000 0.769000 0.867000 0.402000 0.899000 0.000000 0.643000 0.726000 0.483000 0.803000 0.803000 0.924000 0.766000 0.048000 0.925000 0.326000 0.693000 0.911000 0.555000 0.820000 0.684000 0.876000 0.927000 0.371000 0.356000 1.000000 0.379000 0.966000 0.125000 0.000000 0.000000 0 0 0.854000 0.571000 0.000000 0.024000 0.100000 0.562000 0.091000 0.198000 0.620000 0.265000 0.135000 1.000000 0.940000 1.000000 0.019000 0.381000 0.125000 0.037000 0.567000 0.487000 0.000000 0.123000 0.485000 0.211000 0.125000 0.297000 0.365000 0.412000 0.374000 0.482000 1.000000 0.098000 0.048000 0.136000 0.331000 0.000000 0.140000 0.094000 0.859000 0.112000 0.626000 0.889000 0.496000 0.950000 0.675000 0.793000 0.756000 0.747000 0.438000 1.000000 0.549000 1.000000 0.234000 0.286000 0.433000 0.242000 0.500000 0.494000 0.255000 0.275000 0.491000 0.967000 0.493000 0.297000 0.401000 0.998000 0.237000 0.394000 0.647000 0.234000 0.411000 1.000000 0.040000 0.407000 0.951000 0.000000 0.000000 1.000000 1.000000 0.835000 1.000000 0.430000 1.000000 0.195000 0.048000 0.125000 0.138000 0.327000 0.616000 0.422000 0.474000 0.420000 0.111000 0.160000 0.674000 0.720000 0.374000 0.893000 0.294000 0.679000 0.535000 0.285000 0.224000 0.230000 0.183000 0.452000 0.324000 0.657000 0.541000 0.685000 0.277000 0.338000 0.593000 0.394000 0.829000 0.540000 0.642000 0.577000 0.651000 0.743000 0.814000 0.884000 0.441000 0.082000 0.311000 0.206000 0.662000 0.629000 0.965000 0.749000 0.501000 0.512000 0.401000 0.400000 0.527000 0.966000 1.000000 0.016000 0.000000 0.548000 0.582000 0.222000 1.000000 0.602000 1.000000 0.053000 0.408000 0.127000 0.079000 0.315000 0.739000 1.000000 0.894000 0.879000 0.434000 0.960000 0.775000 0.907000 0.919000 0.490000 0.286000 0.591000 0.069000 0.411000 1.000000 0.053000 0.739000 1.000000 0.431000 0.619000 0.393000 0.579000 0.611000 0.771000 0.846000 0.792000 0.773000 0.691000 0.595000 0.616000 0.333000 0.422000 0.475000 0.403000 0.845000 0.919000 0.898000 0.825000 0.878000 1.000000 0.610000 0.630000 0.337000 0.510000 0.613000 0.518000 0.434000 0.211000 0.069000 0.000000 0.000000 0.000000 0.042000 0.359000 0.314000 0.570000 0.677000 0.203000 0.185000 0.054000 0.163000 0.239000 0.566000 0.256000 0.683000 0.122000 0.319000 0.553000 0.000000 0.206000 0.965000 0.435000 0.226000 0.212000 0.956000 0.653000 0.638000 0.982000 0.925000 0.579000 0.949000 0.894000 0.250000 0.250000 0.000000 0.348000 0.130000 0.241000 0.484000 0.353000 0.600000 0.148000 0.483000 0.591000 0.263000 0.206000 0.051000 0.278000 0.370000 0.610000 0.052000 0.843000 0.842000 1.000000 0.962000 0.577000 0.000000 0.074000 0.061000 0.112000 0.114000 0.000000 0.500000 0.483000 0.872000 0.069000 0.149000 0.308000 0.577000 0.785000 0.840000 0.167000 0.189000 0.589000 0.000000 0.687000 0.434000 0.189000 1.000000 0.095000 0.251000 0.289000 0.039000 0.280000 0.099000 0.199000 0.962000 0.408000 0.366000 0.045000 1 0.094000 0.794000 0.844000 0.732000 0.181000 0.187000 0.575000 0.086000 0.982000 0.261000 0.314000 0.284000 0.714000 0.770000 0.983000 0.988000 0.417000 0.583000 0.995000 0.002000 0.399000 0.719000 0.370000 0.511000 0.024000 0.000000 0.248000 0.245000 0.116000 0.639000 0.548000 0.400000 0.513000 0.451000 0.407000 0.598000 0.259000 0.248000 0.039000 0.096000 0.291000 0.641000 0.783000 0.167000 0.136000 0.250000 0.288000 0.117000 0.303000 0.276000 0.000000 0.000000 0.000000 0.504000 0.054000 0.077000 0.905000 0.410000 0.304000 0.864000 0.857000 0.414000 0.500000 0.632000 0.643000 0.947000 0.915000 0.833000 0.775000 0.705000 0.673000 0.534000 0.077000 0.198000 0.029000 0.716000 0.662000 0.641000 0.757000 0.568000 0.231000 0.258000 0.290000 0.292000 0.944000 0.818000 0.943000 0.573000 0.870000 0.803000 0.694000 0.646000 0.000000 0.458000 0.454000 0.045000 0.859000 0.544000 0.442000 0.302000 0.493000 0.036000 0.652000 0.969000 0.970000 0.738000 0.951000 0.409000 0.308000 0.156000 0.340000 0.151000 0.471000 0.602000 0.743000 0.467000 0.224000 0.401000 0.160000 0.491000 0.601000 0.728000 0.602000 0.448000 0.418000 0.723000 0.981000 0.858000 0.340000 0.335000 0.094000 0.054000 0.969000 0.885000 0.825000 0.657000 0.834000 0.680000 0.886000 0.869000 0.892000 0.865000 0.907000 0.099000 0.288000 0.278000 0.129000 0.127000 0.159000 0.069000 0.256000 0.300000 0.250000 0.250000 0.286000 0.293000 0.111000 0.286000 0.687000 0.669000 0.327000 0.692000 0.848000 0.217000 0.250000 0.263000 0.188000 0.279000 0.429000 0.698000 0.952000 0.545000 0.500000 0.384000 0.578000 0.019000 0.031000 0.067000 0.000000 0.044000 0.065000 0.021000 0.159000 0.288000 0.000000 0.250000 0.232000 0.022000 0.091000 0.163000 0.030000 0.108000 0.143000 0.184000 0.284000 0.071000 0.077000 0.033000 0.211000 0.111000 0.308000 0.156000 0.154000 0.076000 0.496000 0.405000 W 0.926000 1.000000 0.226000 0.333000 0.713000 0.512000 1.000000 0.040000 1.000000 0.867000 1.000000 0.873000 1.000000 0.172000 0.651000 0.925000 0.921000 0.000000 0.818000 0.093000 0.686000 1.000000 0.537000 0.167000 0.540000 0.500000 0.500000 1.000000 1.000000 0 1 1.000000 1.000000 0.177000 0.441000 0.182000 0.450000 0.543000 0.752000 0.119000 0.515000 0.219000 0.231000 0.000000 0.717000 0.506000 0.115000 0.920000 0.288000 0.000000 0.287000 1.000000 0.109000 0.963000 1.000000 0.745000 0.831000 0.966000 0.467000 0.718000 0.345000 0.758000 0.929000 0.000000 0.000000 0.427000 0.606000 0.855000 1.000000 0.160000 0.839000 1.000000 0.627000 0.521000 0.476000 1.000000 1.000000 0.766000 0.875000 1.000000 0.976000 0.578000 0.857000 0.742000 0.062000 0.250000 0.000000 0 0 0.835000 0.786000 0.154000 0.024000 0.300000 0.562000 1.000000 0.604000 1.000000 1.000000 0.558000 0.586000 0.760000 0.632000 0.083000 0.000000 0.154000 0.092000 1.000000 1.000000 0.047000 0.062000 1.000000 0.400000 0.281000 0.000000 0.728000 0.807000 0.512000 0.567000 0.689000 0.308000 0.071000 0.219000 0.503000 0.644000 0.091000 0.219000 0.648000 0.150000 0.341000 0.778000 1.000000 1.000000 0.000000 0.000000 0.000000 0.000000 0.469000 0.575000 0.593000 0.284000 0.000000 0.242000 0.000000 0.542000 0.500000 0.562000 0.170000 0.137000 1.000000 0.400000 0.528000 0.000000 0.962000 0.970000 0.078000 0.906000 1.000000 1.000000 0.495000 0.588000 0.233000 0.453000 0.741000 0.250000 0.538000 0.809000 0.260000 1.000000 0.634000 0.455000 0.634000 0.241000 0.000000 0.242000 0.465000 1.000000 1.000000 1.000000 1.000000 1.000000 0.185000 0.280000 0.674000 0.825000 0.473000 0.661000 0.341000 0.000000 0.000000 0.103000 0.700000 0.116000 0.707000 0.066000 0.479000 0.117000 0.741000 0.107000 0.080000 0.458000 0.000000 0.000000 0.012000 0.031000 0.096000 0.000000 0.034000 0.118000 0.698000 0.961000 1.000000 0.251000 0.774000 0.000000 0.000000 0.000000 0.790000 0.000000 0.630000 0.000000 0.240000 0.500000 0.495000 0.739000 0.651000 0.307000 0.357000 0.881000 0.139000 0.580000 0.394000 0.628000 0.650000 0.000000 0.734000 0.587000 0.130000 0.000000 0.922000 0.504000 0.516000 0.589000 0.247000 0.449000 0.292000 0.756000 0.705000 0.490000 0.258000 0.820000 0.113000 0.495000 0.588000 0.237000 0.870000 0.526000 0.373000 0.571000 0.383000 0.807000 0.667000 0.725000 0.604000 0.758000 0.700000 0.770000 0.717000 0.795000 0.897000 0.386000 0.416000 0.343000 0.491000 0.622000 0.672000 0.722000 0.676000 0.642000 0.343000 0.424000 0.528000 0.196000 0.813000 0.651000 0.763000 0.400000 0.076000 0.177000 0.307000 0.169000 0.264000 0.313000 0.289000 0.158000 0.419000 0.283000 0.283000 0.100000 0.119000 0.620000 0.000000 0.209000 1.000000 0.459000 0.513000 0.829000 0.000000 0.352000 0.456000 0.573000 0.458000 0.159000 0.869000 1.000000 0.000000 0.801000 0.486000 1.000000 0.719000 0.811000 0.500000 0.500000 0.059000 0.783000 0.609000 0.345000 1.000000 0.706000 0.800000 0.407000 0.724000 0.182000 0.105000 0.000000 0.000000 0.167000 1.000000 0.598000 0.277000 0.893000 0.741000 0.339000 0.532000 0.027000 0.803000 0.324000 0.780000 1.000000 0.562000 0.773000 0.808000 1.000000 0.846000 0.025000 0.053000 0.462000 1.000000 0.190000 0.511000 1.000000 0.501000 0.847000 1.000000 0.560000 0.487000 0.888000 0.650000 0.027000 0.583000 0.404000 0.000000 0.527000 0.207000 0.456000 0.545000 0.138000 0.602000 0.434000 1 0.095000 0.651000 0.000000 0.982000 0.253000 0.161000 0.158000 0.049000 0.629000 0.020000 1.000000 0.567000 0.589000 0.467000 0.923000 0.878000 1.000000 0.101000 1.000000 0.040000 0.390000 0.894000 0.383000 0.544000 0.554000 0.088000 0.471000 0.490000 0.374000 0.987000 0.510000 0.321000 0.280000 0.805000 0.701000 0.550000 0.524000 0.331000 0.061000 0.534000 0.371000 0.721000 0.855000 0.085000 0.000000 0.000000 0.034000 0.367000 0.294000 0.251000 0.241000 0.105000 0.076000 1.000000 0.143000 0.231000 0.890000 0.226000 0.294000 0.080000 0.024000 0.079000 0.016000 1.000000 1.000000 0.810000 0.801000 0.789000 0.791000 0.722000 0.713000 0.675000 0.462000 0.364000 0.258000 0.000000 0.000000 0.000000 0.000000 0.000000 0.023000 0.018000 0.082000 0.000000 0.000000 0.000000 0.150000 0.008000 0.018000 0.000000 0.129000 0.000000 1.000000 1.000000 1.000000 0.434000 0.681000 0.643000 0.737000 0.468000 0.642000 0.207000 1.000000 0.483000 0.656000 0.982000 0.676000 1.000000 0.333000 0.104000 0.225000 0.066000 0.492000 0.553000 0.605000 0.440000 0.112000 0.520000 0.009000 1.000000 1.000000 1.000000 0.810000 0.794000 0.839000 0.163000 0.629000 0.353000 0.000000 0.000000 0.226000 0.304000 0.914000 0.914000 0.878000 0.914000 0.674000 0.562000 0.472000 0.415000 0.586000 0.590000 0.500000 0.538000 0.306000 0.296000 0.200000 0.070000 0.095000 0.112000 0.274000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 0.910000 0.000000 0.923000 0.002000 1.000000 0.859000 0.895000 0.938000 1.000000 0.372000 0.936000 1.000000 0.916000 0.170000 0.994000 1.000000 0.279000 0.206000 0.267000 0.108000 0.156000 0.152000 0.191000 0.252000 0.404000 0.120000 0.146000 0.179000 0.152000 0.250000 0.349000 0.209000 0.081000 0.167000 0.342000 0.000000 0.220000 0.146000 0.600000 0.400000 0.222000 0.333000 0.104000 0.316000 0.244000 0.000000 0.000000 Y 0.802000 0.709000 0.107000 0.191000 0.404000 0.651000 0.783000 0.502000 0.806000 0.588000 0.598000 0.517000 0.564000 0.084000 0.651000 0.936000 0.797000 0.723000 0.098000 0.688000 0.686000 0.729000 1.000000 0.471000 0.457000 0.500000 0.500000 0.667000 1.000000 0 1 0.801000 0.861000 0.532000 0.237000 0.136000 0.615000 0.128000 0.827000 0.615000 0.120000 0.399000 0.537000 0.471000 0.453000 1.000000 0.596000 0.456000 0.331000 0.181000 0.567000 0.632000 0.451000 1.000000 0.798000 0.668000 0.571000 0.763000 0.367000 0.000000 0.755000 0.879000 0.929000 0.288000 0.198000 0.534000 0.482000 0.715000 0.787000 0.180000 0.035000 0.822000 1.000000 0.756000 0.332000 0.623000 0.604000 0.702000 0.740000 0.801000 0.464000 0.578000 1.000000 0.781000 0.250000 0.250000 0.500000 0 0 0.756000 0.786000 0.154000 0.024000 0.300000 0.562000 0.209000 0.088000 0.120000 0.530000 0.163000 0.828000 1.000000 0.684000 0.315000 0.857000 0.000000 0.367000 0.950000 0.796000 0.073000 0.160000 0.796000 0.474000 0.312000 0.172000 0.614000 0.604000 0.475000 0.319000 0.838000 0.587000 0.198000 0.579000 0.278000 0.263000 0.167000 0.454000 0.296000 0.450000 0.099000 0.519000 0.708000 0.850000 0.234000 0.272000 0.333000 0.317000 0.281000 0.619000 0.327000 0.456000 0.148000 0.300000 0.134000 0.026000 0.500000 0.601000 0.299000 0.333000 0.806000 0.356000 0.728000 0.172000 0.903000 0.902000 0.000000 0.861000 0.853000 0.682000 0.211000 0.718000 0.427000 0.174000 0.802000 0.356000 0.585000 0.801000 0.340000 0.947000 0.529000 0.190000 0.887000 0.351000 0.193000 0.099000 0.321000 0.741000 0.723000 0.613000 0.545000 0.536000 0.556000 0.600000 0.419000 0.535000 0.000000 0.612000 0.906000 0.231000 0.236000 0.213000 0.556000 0.156000 0.425000 0.387000 0.834000 0.224000 0.400000 0.108000 0.102000 0.109000 0.222000 0.052000 0.280000 0.183000 0.150000 0.232000 0.402000 0.175000 0.591000 0.649000 0.676000 0.528000 0.774000 0.340000 0.319000 0.230000 0.744000 0.562000 0.000000 1.000000 0.277000 0.100000 0.165000 0.864000 0.783000 0.622000 0.582000 0.000000 0.213000 0.099000 0.687000 0.637000 0.621000 0.580000 0.320000 0.698000 1.000000 0.405000 0.550000 0.583000 0.539000 0.540000 0.379000 0.632000 0.314000 0.210000 0.621000 0.500000 0.184000 0.516000 0.275000 0.211000 0.718000 0.434000 0.870000 0.684000 0.216000 0.127000 0.047000 0.325000 0.500000 0.435000 0.456000 0.630000 0.640000 0.654000 0.688000 0.651000 0.483000 0.386000 0.713000 0.701000 0.745000 0.748000 0.715000 0.859000 0.815000 0.825000 0.448000 0.576000 0.449000 0.853000 1.000000 0.723000 0.684000 0.537000 0.250000 0.358000 0.294000 0.153000 0.188000 0.467000 0.157000 0.377000 0.269000 0.569000 0.642000 0.377000 0.496000 0.022000 0.664000 0.330000 0.778000 0.201000 0.601000 0.537000 0.293000 0.296000 0.921000 0.470000 0.572000 0.327000 0.745000 0.770000 0.232000 0.706000 0.517000 0.883000 0.573000 0.594000 1.000000 1.000000 0.206000 0.652000 0.043000 0.276000 0.194000 0.000000 0.333000 0.481000 0.276000 0.500000 0.053000 0.353000 0.205000 0.444000 0.185000 0.250000 0.097000 0.607000 0.751000 0.763000 0.722000 0.766000 0.761000 0.685000 0.818000 0.584000 0.390000 0.798000 0.635000 0.710000 0.615000 0.275000 0.592000 0.923000 0.990000 0.273000 0.348000 0.856000 0.703000 0.704000 0.857000 0.923000 0.150000 0.370000 0.902000 0.158000 0.583000 0.678000 0.154000 0.000000 0.273000 0.693000 0.196000 0.000000 1.000000 0.408000 1 0.334000 0.443000 0.377000 0.589000 0.203000 0.361000 0.158000 0.099000 0.619000 0.412000 0.852000 0.456000 0.524000 0.557000 0.966000 0.949000 0.599000 0.967000 0.801000 0.031000 0.362000 0.762000 0.543000 0.789000 0.410000 0.193000 0.372000 0.358000 0.135000 0.323000 0.429000 0.461000 0.520000 0.524000 0.481000 0.562000 0.378000 0.662000 0.213000 0.658000 0.217000 0.473000 0.812000 0.159000 0.126000 0.066000 0.398000 0.233000 0.344000 0.336000 0.137000 0.053000 0.036000 0.765000 0.107000 0.154000 0.931000 0.000000 0.282000 0.443000 0.321000 0.314000 0.198000 0.711000 0.929000 0.577000 0.632000 0.580000 0.549000 0.463000 0.398000 0.271000 0.462000 0.265000 0.115000 0.297000 0.225000 0.163000 0.257000 0.210000 0.151000 0.155000 0.307000 0.132000 0.245000 0.197000 0.561000 0.142000 0.300000 0.248000 0.481000 0.199000 0.730000 0.804000 0.809000 0.409000 0.591000 0.587000 0.368000 0.449000 0.041000 0.477000 0.607000 0.396000 0.802000 0.773000 0.746000 0.768000 0.410000 0.429000 0.426000 0.110000 0.812000 0.745000 0.402000 0.666000 0.159000 0.673000 0.105000 0.726000 0.761000 0.728000 0.675000 1.000000 1.000000 0.000000 0.619000 0.203000 0.294000 0.471000 0.477000 0.457000 0.902000 0.682000 0.880000 0.600000 0.561000 0.926000 0.722000 0.706000 0.794000 0.839000 0.771000 0.224000 0.427000 0.426000 0.214000 0.127000 0.159000 0.275000 0.507000 0.800000 0.750000 0.750000 0.857000 0.800000 0.667000 0.929000 0.917000 0.866000 0.209000 1.000000 0.081000 0.739000 0.869000 1.000000 1.000000 0.803000 0.467000 0.873000 0.736000 0.864000 0.133000 0.860000 0.701000 0.409000 0.268000 0.222000 0.231000 0.244000 0.196000 0.319000 0.271000 0.288000 0.213000 0.208000 0.196000 0.239000 0.318000 0.349000 0.299000 0.189000 0.238000 0.368000 0.241000 0.313000 0.286000 0.644000 0.474000 0.481000 0.410000 0.429000 0.250000 0.413000 0.235000 0.336000 To retrieve the un-normalized scales, set
name='scales_raw':df_scales = aa.load_scales(name="scales_raw") aa.display_df(df_scales, show_shape=True)
DataFrame shape: (20, 586)
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1.200000 0.600000 0.200000 0.800000 1.300000 0.800000 1.100000 0.300000 1.200000 0.800000 0.900000 0.500000 -4.500000 -3.700000 -4.600000 -0.600000 4.000000 3.300000 4.800000 2.900000 3.100000 3.800000 1.300000 -0.600000 3.200000 2.100000 177.700000 0.760000 0.980000 0.980000 1.200000 2.970000 0.193000 -0.138000 0.381000 0.220000 1.020000 66.000000 1.670000 0.670000 0.802000 1.340000 0.816000 1.283000 1.227000 0.654000 0.000000 0.907000 1.101000 0.066000 0.060000 0.737000 0.051590 1.000000 -1.510000 6.900000 0.490000 0.640000 -0.420000 0.190000 -0.610000 5.700000 -6.110000 -1.390000 2.320000 0.010000 8.800000 6.800000 17.990000 18.230000 0.000000 2.970000 18.030000 1.610000 5.660000 15.000000 1.040000 1.120000 0.940000 0.800000 0.820000 0.990000 0.730000 0.650000 0.930000 0.910000 1.040000 1.060000 1.100000 1.020000 0.730000 1.060000 0.930000 1.150000 0.640000 0.850000 12.100000 -0.170000 0.929000 1.199000 0.981000 0.788000 0.778000 1.009000 0.665000 0.560000 0.980000 5.190000 -0.500000 0.600000 0.720000 0.220000 0.287000 4.500000 3.700000 4.500000 3.300000 17.200000 1.680000 -11 11 36 44 43 27 -7 0.900000 0.050000 -0.490000 3.600000 3.200000 3.300000 3.100000 2.400000 2.750000 2.260000 3.260000 2.160000 4.070000 3.550000 6.150000 3.960000 3.460000 2.960000 4.850000 3.010000 5.060000 194.600000 197.000000 0.051600 1.370000 1.890000 1.390000 2.370000 -2.580000 1.000000 56 -1.300000 0.316700 0.311300 0.299800 0.322000 -0.090000 -0.030000 1.000000 0.902000 1.157000 1.120000 0.836000 1.090000 0.866000 1.075000 0.945000 5.010000 4.460000 19.500000 0.250000 231.700000 237.200000 0.531000 -0.230000 0.470000 -0.560000 -0.250000 0.400000 0.480000 -0.080000 0.510000 0.880000 0.500000 51.790000 1.699000 3.340000 0.690000 2.870000 7.610000 2.170000 -4.730000 -0.880000 -0.140000 -0.230000 -0.290000 -0.230000 0.700000 -1.010000 9.000000 9.000000 18.000000 7.000000 8.880000 6.000000 13.000000 2.000000 12.868000 -4.793000 4.333000 -2.054000 18.000000 27.780000 20.000000 38.000000 56.000000 6.220000 28.252000 -0.960000 12.222000 1.599000 227 130 96 31 12 15 14 10 15 43 22 20 19 17 21 44 19 24 19 14 25 -0.710000 0.680000 -0.260000 1.300000 -0.210000 0.400000 -0.090000 -0.030000 -0.120000 0.230000 -0.940000 0.010000 The first 20 PCs of all compressed scales can be retrieved by
name='scales_pca':df_pc = aa.load_scales(name="scales_pc") aa.display_df(df_pc, show_shape=True)
DataFrame shape: (20, 20)
PC1 PC2 PC3 PC4 PC5 PC6 PC7 PC8 PC9 PC10 PC11 PC12 PC13 PC14 PC15 PC16 PC17 PC18 PC19 PC20 AA A 0.073190 0.259030 -0.270090 -0.374730 -0.009310 0.159360 -0.090600 0.193800 0.106010 0.165780 0.127210 -0.161270 -0.035360 -0.133400 0.084230 -0.136950 -0.503810 -0.441080 -0.235460 -0.115310 C 0.205620 0.130650 -0.164980 0.302520 0.539970 0.264480 0.488150 0.051980 0.287850 -0.268360 -0.083770 -0.121410 -0.109260 -0.091250 -0.008110 0.108830 -0.001420 0.002640 -0.049160 -0.090410 D -0.264620 0.245490 -0.055430 0.063120 0.125590 0.255040 -0.203960 -0.491080 -0.010360 -0.073790 0.119410 0.009770 -0.070680 0.337390 0.401750 0.068220 0.266940 -0.350000 -0.008320 0.021170 E -0.195640 0.341280 0.127870 -0.314750 -0.018020 0.337190 -0.088000 -0.325790 0.083820 -0.160650 0.150770 -0.083790 0.078590 -0.304560 -0.185970 0.050030 -0.122970 0.526190 0.093960 -0.049910 F 0.348890 0.125190 0.034520 0.118960 -0.091320 0.009140 -0.197540 -0.011910 -0.212210 0.005670 0.030470 0.057490 -0.231740 -0.003790 0.022030 0.772250 -0.266000 -0.022190 0.162590 0.046080 G -0.145180 0.043160 -0.570540 0.098060 0.142450 -0.225710 -0.419920 0.279690 0.152640 -0.258630 0.331190 0.123200 0.159960 -0.040240 -0.082410 0.126100 0.172820 0.143800 -0.021170 -0.013710 H 0.011380 0.269740 0.159750 0.175360 0.140680 0.039330 -0.029280 0.243770 -0.640950 -0.052370 0.149440 -0.454060 0.277910 -0.122510 -0.045280 -0.071300 0.183940 -0.094790 0.008380 -0.069890 I 0.374000 0.121890 -0.126860 -0.065250 -0.155980 -0.140290 0.056690 -0.245830 -0.074940 -0.230000 -0.066920 0.126430 0.278090 0.317410 -0.136170 -0.116940 -0.048480 -0.011570 0.106600 -0.643530 K -0.202260 0.363130 0.183790 -0.111210 -0.171380 -0.214410 0.039890 0.320010 0.256790 -0.247370 -0.467600 -0.097600 0.259350 0.079820 0.361420 0.200120 0.001610 0.031450 0.022120 0.025380 L 0.329240 0.177160 -0.139820 -0.286860 -0.194360 0.007340 -0.111360 0.074030 0.021080 -0.084450 -0.184180 -0.240430 -0.529920 -0.014800 -0.095810 -0.092210 0.533010 0.065930 -0.124290 0.027420 M 0.289160 0.251510 0.091470 -0.045450 0.115730 0.289220 -0.027170 0.324950 -0.160960 0.102270 0.098870 0.568290 0.015620 0.155680 0.312940 -0.242760 0.031370 0.270270 -0.003700 0.121800 N -0.204120 0.231170 -0.097670 0.214020 0.165010 -0.073740 -0.200140 -0.064790 -0.228230 -0.089820 -0.412980 0.046050 -0.217960 0.321250 -0.358480 -0.182220 -0.346170 0.128620 -0.247410 0.172590 P -0.166120 0.037590 -0.276880 0.384140 -0.691610 0.405000 0.245850 0.129850 -0.038030 -0.107960 0.076900 -0.010790 -0.025870 0.046690 -0.030560 -0.027880 -0.038210 0.019500 -0.022540 0.032680 Q -0.119850 0.334480 0.116780 0.002460 -0.024550 0.011320 0.091330 0.022790 0.054670 0.106180 -0.094670 0.476790 0.092050 -0.269600 -0.491950 0.112910 0.272950 -0.434320 0.026510 0.014460 R -0.146320 0.295020 0.283520 0.027240 -0.055660 -0.400980 0.290780 0.098030 0.116960 -0.054230 0.562180 -0.022100 -0.359900 0.268070 -0.071670 -0.043500 -0.086680 0.028750 0.001300 -0.049780 S -0.134520 0.220350 -0.315510 0.084300 0.067610 -0.126640 0.060490 -0.000750 -0.029870 0.390700 -0.158630 -0.068780 -0.175300 -0.085460 0.095610 -0.162100 -0.032190 0.065770 0.729960 -0.085650 T -0.024920 0.194840 -0.219810 0.062620 -0.014410 -0.171330 0.220850 -0.164790 -0.032160 0.593290 -0.017750 -0.030370 0.163560 0.008680 0.093110 0.238680 0.145260 0.287260 -0.489980 -0.115160 V 0.310250 0.155950 -0.230960 -0.132630 -0.074050 -0.208070 0.242330 -0.272770 -0.034070 -0.123100 0.093210 -0.064920 0.304670 0.058230 -0.044470 -0.078980 -0.046460 -0.060360 0.107190 0.689670 W 0.287410 0.142550 0.249530 0.355490 -0.053760 0.136800 -0.371840 0.031690 0.498030 0.300260 0.064360 -0.257830 0.200040 0.189230 -0.198120 -0.114360 0.021200 0.008150 0.065530 0.076070 Y 0.160400 0.150020 0.081790 0.400500 -0.128640 -0.293600 -0.164880 -0.258810 0.019610 -0.154980 -0.015850 0.121660 -0.130260 -0.567950 0.309210 -0.269350 -0.099280 -0.021080 -0.166870 -0.049600 The
AAontolgytwo-level classification can be retrieved byname='scales_cat'df_cat = aa.load_scales(name="scales_cat") aa.display_df(df_cat, show_shape=True)
DataFrame shape: (586, 5)
scale_id category subcategory scale_name scale_description 1 LINS030110 ASA/Volume Accessible s...e area (ASA) ASA (folded coil/turn) Total median...t al., 2003) 2 LINS030113 ASA/Volume Accessible s...e area (ASA) ASA (folded coil/turn) % total acce...t al., 2003) 3 JANJ780101 ASA/Volume Accessible s...e area (ASA) ASA (folded protein) Average acce...t al., 1978) 4 JANJ780103 ASA/Volume Accessible s...e area (ASA) ASA (folded protein) Percentage o...t al., 1978) 5 LINS030104 ASA/Volume Accessible s...e area (ASA) ASA (folded protein) Total median...t al., 2003) 6 LINS030107 ASA/Volume Accessible s...e area (ASA) ASA (folded protein) % total acce...t al., 2003) 7 CHOC760102 ASA/Volume Accessible s...e area (ASA) ASA (folded proteins) Residue acce...othia, 1976) 8 LINS030116 ASA/Volume Accessible s...e area (ASA) ASA (folded β-strand) Total median...t al., 2003) 9 LINS030119 ASA/Volume Accessible s...e area (ASA) ASA (folded β-strand) % total acce...t al., 2003) 10 LINS030103 ASA/Volume Accessible s...e area (ASA) Hydrophilic ASA Hydrophilic ...t al., 2003) 11 LINS030112 ASA/Volume Accessible s...e area (ASA) Hydrophilic ...d coil/turn) Hydrophilic ...t al., 2003) 12 LINS030115 ASA/Volume Accessible s...e area (ASA) Hydrophilic ...d coil/turn) % Hydrophili...t al., 2003) 13 LINS030106 ASA/Volume Accessible s...e area (ASA) Hydrophilic ...ed proteins) Hydrophilic ...t al., 2003) 14 LINS030109 ASA/Volume Accessible s...e area (ASA) Hydrophilic ...ed proteins) % Hydrophili...t al., 2003) 15 LINS030118 ASA/Volume Accessible s...e area (ASA) Hydrophilic ...ed β-strand) Hydrophilic ...t al., 2003) 16 LINS030121 ASA/Volume Accessible s...e area (ASA) Hydrophilic ...ed β-strand) % Hydrophili...t al., 2003) 17 LINS030114 ASA/Volume Accessible s...e area (ASA) Hydrophobic ...d coil/turn) % Hydrophobi...t al., 2003) 18 LINS030108 ASA/Volume Accessible s...e area (ASA) Hydrophobic ...ded protein) % Hydrophobi...t al., 2003) 19 LINS030120 ASA/Volume Accessible s...e area (ASA) Hydrophobic ...ed β-strand) % Hydrophobi...t al., 2003) 20 GUYH850104 ASA/Volume Accessible s...e area (ASA) Partition energy Apparent par... (Guy, 1985) 21 GUYH850105 ASA/Volume Accessible s...e area (ASA) Partition energy Apparent par... (Guy, 1985) 22 RACS770103 ASA/Volume Accessible s...e area (ASA) Side chain orientation Side chain o...eraga, 1977) 23 VHEG790101 ASA/Volume Accessible s...e area (ASA) TFE to lipophilic phase Transfer fre...mberg, 1979) 24 BIOV880101 ASA/Volume Buried Buriability Information ...t al., 1988) 25 BIOV880102 ASA/Volume Buried Buriability Information ...t al., 1988) 26 WERD780101 ASA/Volume Buried Buriability Propensity t...eraga, 1978) 27 ZHOH040103 ASA/Volume Buried Buriability Buriability ...-Zhou, 2004) 28 ARGP820103 ASA/Volume Buried Buried Membrane-bur...t al., 1982) 29 CHOC760103 ASA/Volume Buried Buried Proportion o...othia, 1976) 30 CHOC760104 ASA/Volume Buried Buried Proportion o...othia, 1976) 31 JANJ780102 ASA/Volume Buried Buried Percentage o...t al., 1978) 32 JANJ790101 ASA/Volume Buried Buried Ratio of bur...Janin, 1979) 33 OLSK800101 ASA/Volume Buried Buried Average inte...Olsen, 1980) 34 NISK800101 ASA/Volume Buried Interactivity 8 A contact ...a-Ooi, 1980) 35 WARP780101 ASA/Volume Buried Interactivity Average inte...organ, 1978) 36 LINS030111 ASA/Volume Hydrophobic ASA Hydrophobic ...d coil/turn) Hydrophobic ...t al., 2003) 37 LINS030105 ASA/Volume Hydrophobic ASA Hydrophobic ...ed proteins) Hydrophobic ...t al., 2003) 38 LINS030117 ASA/Volume Hydrophobic ASA Hydrophobic ...ed β-strand) Hydrophobic ...t al., 2003) 39 PONP800107 ASA/Volume Partial specific volume Accessibilit...uction ratio Accessibilit...t al., 1980) 40 ZIMJ680102 ASA/Volume Partial specific volume Bulkiness Bulkiness (Z...t al., 1968) 41 LINS030102 ASA/Volume Partial specific volume Hydrophobic ASA Hydrophobic ...t al., 2003) 42 BASU050101 ASA/Volume Partial specific volume Interactivity Interactivit...t al., 2005) 43 BASU050103 ASA/Volume Partial specific volume Interactivity Interactivit...t al., 2005) 44 NISK860101 ASA/Volume Partial specific volume Interactivity 14 A contact...a-Ooi, 1986) 45 BULH740102 ASA/Volume Partial specific volume Partial specific volume Apparent par...reese, 1974) 46 COHE430101 ASA/Volume Partial specific volume Partial specific volume Partial spec...dsall, 1943) 47 PLIV810101 ASA/Volume Partial specific volume Partition coefficient Partition Co...t al., 1981) 48 CHOC760101 ASA/Volume Volume Accessible s...e area (ASA) Residue acce...othia, 1976) 49 LINS030101 ASA/Volume Volume Accessible s...e area (ASA) Total access...t al., 2003) 50 RADA880106 ASA/Volume Volume Accessible s...e area (ASA) Accessible s...enden, 1988) 51 ROSG850101 ASA/Volume Volume Mean area buried Mean area bu...t al., 1985) 52 BIGC670101 ASA/Volume Volume Volume Residue volu...gelow, 1967) 53 CHOC750101 ASA/Volume Volume Volume Average volu...othia, 1975) 54 DAWD720101 ASA/Volume Volume Volume Size (Dawson, 1972) 55 FAUJ880103 ASA/Volume Volume Volume Normalized v...t al., 1988) 56 GOLD730102 ASA/Volume Volume Volume Residue volu...ifoux, 1973) 57 GRAR740103 ASA/Volume Volume Volume Volume (Grantham, 1974) 58 HARY940101 ASA/Volume Volume Volume Mean volumes...t al., 1994) 59 KRIW790103 ASA/Volume Volume Volume Side chain v...oriya, 1979) 60 LEVM760106 ASA/Volume Volume Volume van der Waal...evitt, 1976) 61 PONJ960101 ASA/Volume Volume Volume Average volu...t al., 1996) 62 TSAJ990101 ASA/Volume Volume Volume Volumes incl...t al., 1999) 63 TSAJ990102 ASA/Volume Volume Volume Volumes not ...t al., 1999) 64 FASG760101 ASA/Volume Volume Weight Molecular we...asman, 1976) 65 DAYM780101 Composition AA composition AA composition Amino acid c... al., 1978a) 66 JOND920101 Composition AA composition AA composition Relative fre...t al., 1992) 67 JUKT750101 Composition AA composition AA composition Amino acid d...t al., 1975) 68 JUNJ780101 Composition AA composition AA composition Sequence fre...ungck, 1978) 69 NAKH900101 Composition AA composition AA composition AA compositi...t al., 1990) 70 NAKH900102 Composition AA composition AA composition SD of AA com...t al., 1990) 71 CEDJ970102 Composition AA composition AA composition (anchored) Composition ...t al., 1997) 72 CEDJ970101 Composition AA composition AA composition (EXT) Composition ...t al., 1997) 73 CEDJ970104 Composition AA composition AA composition (INT) Composition ...t al., 1997) 74 NAKH920107 Composition AA composition Membrane pro...anning, EXT) AA compositi...ikawa, 1992) 75 NAKH920106 Composition AA composition Membrane pro...anning, INT) AA compositi...ikawa, 1992) 76 NAKH920103 Composition AA composition Membrane pro...anning, EXT) AA compositi...ikawa, 1992) 77 NAKH920104 Composition AA composition Membrane pro...anning, EXT) AA compositi...ikawa, 1992) 78 NAKH920101 Composition AA composition Membrane pro...anning, INT) AA compositi...ikawa, 1992) 79 NAKH920102 Composition AA composition Membrane pro...anning, INT) AA compositi...ikawa, 1992) 80 CEDJ970105 Composition AA composition Nuclear proteins Composition ...t al., 1997) 81 FUKS010112 Composition AA composition Nuclear proteins Entire chain...ikawa, 2001) 82 KUMS000102 Composition AA composition Proteins of mesophiles Distribution...t al., 2000) 83 FUKS010111 Composition AA composition Proteins of ...philes (EXT) Entire chain...ikawa, 2001) 84 FUKS010110 Composition AA composition Proteins of ...philes (INT) Entire chain...ikawa, 2001) 85 KUMS000101 Composition AA composition Proteins of thermophiles Distribution...t al., 2000) 86 KUMS000103 Composition AA composition Proteins of thermophiles Distribution...t al., 2000) 87 FUKS010109 Composition AA composition Proteins of ...philes (INT) Entire chain...ikawa, 2001) 88 DIGM050101 Composition AA composition (surface) Hydrostatic pressure Hydrostatic ...iulio, 2005) 89 FUKS010104 Composition AA composition (surface) Nuclear proteins Surface comp...ikawa, 2001) 90 FUKS010103 Composition AA composition (surface) Proteins of ...philes (EXT) Surface comp...ikawa, 2001) 91 FUKS010102 Composition AA composition (surface) Proteins of ...philes (INT) Surface comp...ikawa, 2001) 92 FUKS010101 Composition AA composition (surface) Proteins of ...philes (INT) Surface comp...ikawa, 2001) 93 CEDJ970103 Composition Membrane proteins (MPs) Membrane proteins Composition ...t al., 1997) 94 NAKH900109 Composition Membrane proteins (MPs) Membrane proteins AA compositi...t al., 1990) 95 NAKH900111 Composition Membrane proteins (MPs) Membrane proteins Transmembran...t al., 1990) 96 NAKH900112 Composition Membrane proteins (MPs) Membrane proteins Transmembran...t al., 1990) 97 NAKH920108 Composition Membrane proteins (MPs) Membrane pro...ti-spanning) AA compositi...ikawa, 1992) 98 NAKH920105 Composition Membrane proteins (MPs) Membrane pro...le-spanning) AA compositi...ikawa, 1992) 99 NAKH900103 Composition Membrane proteins (MPs) Mitochondrial proteins AA compositi...t al., 1990) 100 NAKH900107 Composition Membrane proteins (MPs) Mitochondrial proteins AA compositi...t al., 1990) 101 FUKS010108 Composition Membrane proteins (MPs) Nuclear prot...s (interior) Interior com...ikawa, 2001) 102 KUMS000104 Composition Membrane proteins (MPs) Proteins of mesophiles Distribution...t al., 2000) 103 FUKS010107 Composition Membrane proteins (MPs) Proteins of ...philes (EXT) Interior com...ikawa, 2001) 104 FUKS010106 Composition Membrane proteins (MPs) Proteins of ...philes (INT) Interior com...ikawa, 2001) 105 FUKS010105 Composition Membrane proteins (MPs) Proteins of ...philes (INT) Interior com...ikawa, 2001) 106 NAKH900104 Composition Mitochondrial proteins Mitochondrial proteins Normalized c...t al., 1990) 107 NAKH900105 Composition Mitochondrial proteins Mitochondrial proteins AA compositi...t al., 1990) 108 NAKH900106 Composition Mitochondrial proteins Mitochondrial proteins Normalized c...t al., 1990) 109 NAKH900108 Composition Mitochondrial proteins Mitochondrial proteins Normalized c...t al., 1990) 110 PUNT030101 Composition MPs (anchor) Membrane pro...ins (anchor) Knowledge-ba...ritan, 2003) 111 PUNT030102 Composition MPs (anchor) Membrane pro...ins (anchor) Knowledge-ba...ritan, 2003) 112 OOBM770103 Composition MPs (anchor) Non-bonded E...rgy per Atom Long range n...e-Ooi, 1977) 113 GUYH850101 Composition MPs (anchor) Partition energy Partition en... (Guy, 1985) 114 GUYH850102 Composition MPs (anchor) Partition energy Apparent par... (Guy, 1985) 115 MIYS990101 Composition MPs (anchor) Partition energy Relative par...nigan, 1999) 116 MIYS990102 Composition MPs (anchor) Partition energy Optimized re...nigan, 1999) 117 MIYS990103 Composition MPs (anchor) Partition energy Optimized re...nigan, 1999) 118 MIYS990104 Composition MPs (anchor) Partition energy Optimized re...nigan, 1999) 119 MIYS990105 Composition MPs (anchor) Partition energy Optimized re...nigan, 1999) 120 BULH740101 Composition MPs (anchor) TFE to surface Transfer fre...reese, 1974) 121 NAKH900113 Composition Unclassified...Composition) Average Composition Ratio of ave...t al., 1990) 122 GRAR740101 Composition Unclassified...Composition) Substitution Frequency Composition ...ntham, 1974) 123 GEIM800108 Conformation Coil Aperiodic indices Aperiodic in...berts, 1980) 124 GEIM800111 Conformation Coil Aperiodic indices Aperiodic in...berts, 1980) 125 CHAM830101 Conformation Coil Coil The Chou-Fas...arton, 1983) 126 GEIM800110 Conformation Coil Coil Aperiodic in...berts, 1980) 127 NAGK730103 Conformation Coil Coil Normalized f...agano, 1973) 128 QIAN880130 Conformation Coil Coil Weights for ...owski, 1988) 129 QIAN880131 Conformation Coil Coil Weights for ...owski, 1988) 130 QIAN880132 Conformation Coil Coil Weights for ...owski, 1988) 131 QIAN880133 Conformation Coil Coil Weights for ...owski, 1988) 132 QIAN880134 Conformation Coil Coil Weights for ...owski, 1988) 133 QIAN880135 Conformation Coil Coil Weights for ...owski, 1988) 134 ROBB760112 Conformation Coil Coil Information ...uzuki, 1976) 135 CHOP780207 Conformation Coil Non helical ...(C-terminal) Normalized f...sman, 1978b) 136 QIAN880136 Conformation Coil (C-term) Coil (C-terminal) Weights for ...owski, 1988) 137 QIAN880137 Conformation Coil (C-term) Coil (C-terminal) Weights for ...owski, 1988) 138 QIAN880138 Conformation Coil (C-term) Coil (C-terminal) Weights for ...owski, 1988) 139 ROBB760107 Conformation Coil (C-term) Coil (C-terminal) Information ...uzuki, 1976) 140 QIAN880127 Conformation Coil (N-term) Coil (N-terminal) Weights for ...owski, 1988) 141 QIAN880128 Conformation Coil (N-term) Coil (N-terminal) Weights for ...owski, 1988) 142 GEOR030105 Conformation Coil (N-term) Linker (small) Linker prope...ringa, 2003) 143 GEOR030101 Conformation Linker (>14 AA) Linker Linker prope...ringa, 2003) 144 GEOR030102 Conformation Linker (>14 AA) Linker (1) Linker prope...ringa, 2003) 145 GEOR030107 Conformation Linker (>14 AA) Linker (Long) Linker prope...ringa, 2003) 146 GEOR030109 Conformation Linker (>14 AA) Linker (Non-Helical) Linker prope...ringa, 2003) 147 FINA910102 Conformation Linker (>14 AA) α-helix (C-term, out) Helix initia...t al., 1991) 148 ONEK900102 Conformation Linker (>14 AA) α-helix (C-term, out) Helix format...Grado, 1990) 149 GEOR030103 Conformation Linker (6-14 AA) Linker (2) Linker prope...ringa, 2003) 150 GEOR030104 Conformation Linker (6-14 AA) Linker (3) Linker prope...ringa, 2003) 151 GEOR030106 Conformation Linker (6-14 AA) Linker (medium) Linker prope...ringa, 2003) 152 AURR980118 Conformation Linker (6-14 AA) α-helix (C-t...al, outside) Normalized p...-Rose, 1998) 153 AURR980101 Conformation Linker (6-14 AA) α-helix (N-t...al, outside) Normalized p...-Rose, 1998) 154 AURR980102 Conformation Linker (6-14 AA) α-helix (N-t...al, outside) Normalized p...-Rose, 1998) 155 QIAN880139 Conformation Unclassified...onformation) Coil (C-terminal) Weights for ...owski, 1988) 156 QIAN880129 Conformation Unclassified...onformation) Coil (N-terminal) Weights for ...owski, 1988) 157 ISOY800107 Conformation Unclassified...onformation) Double bend Normalized r...t al., 1980) 158 VASM830103 Conformation Unclassified...onformation) Extended Relative pop...t al., 1983) 159 RACS820104 Conformation Unclassified...onformation) Extended (left-handed) Average rela...eraga, 1982) 160 RACS820112 Conformation Unclassified...onformation) Extended (right-handed) Average rela...eraga, 1982) 161 VASM830101 Conformation Unclassified...onformation) α-helix Relative pop...t al., 1983) 162 RICJ880114 Conformation Unclassified...onformation) α-helix (C-t...nal, inside) Relative pre...rdson, 1988) 163 AURR980120 Conformation Unclassified...onformation) α-helix (C-t...al, outside) Normalized p...-Rose, 1998) 164 RICJ880117 Conformation Unclassified...onformation) α-helix (C-t...al, outside) Relative pre...rdson, 1988) 165 RACS820103 Conformation Unclassified...onformation) α-helix (left-handed) Average rela...eraga, 1982) 166 RICJ880108 Conformation Unclassified...onformation) α-helix (middle) Relative pre...rdson, 1988) 167 RICJ880104 Conformation Unclassified...onformation) α-helix (N-t...nal, inside) Relative pre...rdson, 1988) 168 QIAN880101 Conformation Unclassified...onformation) α-helix (N-terminal) Weights for ...owski, 1988) 169 GEIM800103 Conformation Unclassified...onformation) α-helix (β-proteins) Alpha-helix ...berts, 1980) 170 CHAM830102 Conformation Unclassified...onformation) β-sheet A parameter ...arton, 1983) 171 QIAN880117 Conformation Unclassified...onformation) β-sheet Weights for ...owski, 1988) 172 QIAN880123 Conformation Unclassified...onformation) β-sheet (C-terminal) Weights for ...owski, 1988) 173 OOBM850102 Conformation Unclassified...onformation) β-turn (opti... propensity) Optimized pr...t al., 1985) 174 AURR980109 Conformation α-helix α-helix Normalized p...-Rose, 1998) 175 AURR980111 Conformation α-helix α-helix Normalized p...-Rose, 1998) 176 AURR980112 Conformation α-helix α-helix Normalized p...-Rose, 1998) 177 AURR980113 Conformation α-helix α-helix Normalized p...-Rose, 1998) 178 BEGF750101 Conformation α-helix α-helix Conformation...Dirkx, 1975) 179 BURA740101 Conformation α-helix α-helix Normalized f...t al., 1974) 180 CHOP780201 Conformation α-helix α-helix Normalized f...sman, 1978b) 181 GEIM800101 Conformation α-helix α-helix Alpha-helix ...berts, 1980) 182 GEIM800104 Conformation α-helix α-helix Alpha-helix ...berts, 1980) 183 ISOY800101 Conformation α-helix α-helix Normalized r...t al., 1980) 184 KANM800101 Conformation α-helix α-helix Average rela...Tsong, 1980) 185 KANM800103 Conformation α-helix α-helix Average rela...Tsong, 1980) 186 LEVM780101 Conformation α-helix α-helix Normalized f...evitt, 1978) 187 LEVM780104 Conformation α-helix α-helix Normalized f...evitt, 1978) 188 MAXF760101 Conformation α-helix α-helix Normalized f...eraga, 1976) 189 NAGK730101 Conformation α-helix α-helix Normalized f...agano, 1973) 190 PALJ810101 Conformation α-helix α-helix Normalized f...t al., 1981) 191 PALJ810102 Conformation α-helix α-helix Normalized f...t al., 1981) 192 PALJ810109 Conformation α-helix α-helix Normalized f...t al., 1981) 193 PRAM900102 Conformation α-helix α-helix Relative fre...karan, 1990) 194 QIAN880105 Conformation α-helix α-helix Weights for ...owski, 1988) 195 QIAN880109 Conformation α-helix α-helix Weights for ...owski, 1988) 196 QIAN880110 Conformation α-helix α-helix Weights for ...owski, 1988) 197 RACS820108 Conformation α-helix α-helix Average rela...eraga, 1982) 198 RICJ880112 Conformation α-helix α-helix Relative pre...rdson, 1988) 199 ROBB760101 Conformation α-helix α-helix Information ...uzuki, 1976) 200 TANS770101 Conformation α-helix α-helix Normalized f...eraga, 1977) 201 AURR980110 Conformation α-helix α-helix (middle) Normalized p...-Rose, 1998) 202 CRAJ730101 Conformation α-helix α-helix (middle) Normalized f...t al., 1973) 203 QIAN880106 Conformation α-helix α-helix (middle) Weights for ...owski, 1988) 204 QIAN880107 Conformation α-helix α-helix (middle) Weights for ...owski, 1988) 205 QIAN880108 Conformation α-helix α-helix (middle) Weights for ...owski, 1988) 206 RICJ880109 Conformation α-helix α-helix (middle) Relative pre...rdson, 1988) 207 ROBB760103 Conformation α-helix α-helix (middle) Information ...uzuki, 1976) 208 AURR980108 Conformation α-helix α-helix (N-t...nal, inside) Normalized p...-Rose, 1998) 209 QIAN880104 Conformation α-helix α-helix (N-t...nal, inside) Weights for ...owski, 1988) 210 AURR980116 Conformation α-helix (C-cap) α-helix (C-t...inal, C-cap) Normalized p...-Rose, 1998) 211 FINA910103 Conformation α-helix (C-cap) α-helix (C-t...nal, inside) Helix termin...t al., 1991) 212 RICJ880113 Conformation α-helix (C-cap) α-helix (C-t...nal, inside) Relative pre...rdson, 1988) 213 FINA910104 Conformation α-helix (C-cap) α-helix termination Helix termin...t al., 1991) 214 MAXF760106 Conformation α-helix (C-term, out) α region Normalized f...eraga, 1976) 215 AURR980119 Conformation α-helix (C-term, out) α-helix (C-t...al, outside) Normalized p...-Rose, 1998) 216 ISOY800106 Conformation α-helix (C-term, out) α-helix (C-t...al, outside) Normalized r...t al., 1980) 217 RICJ880116 Conformation α-helix (C-term, out) α-helix (C-t...al, outside) Relative pre...rdson, 1988) 218 TANS770102 Conformation α-helix (C-term, out) α-helix (C-t...al, outside) Normalized f...eraga, 1977) 219 BLAM930101 Conformation α-helix (C-term) α-helix Alpha helix ...t al., 1993) 220 AURR980114 Conformation α-helix (C-term) α-helix (C-terminal) Normalized p...-Rose, 1998) 221 AURR980115 Conformation α-helix (C-term) α-helix (C-terminal) Normalized p...-Rose, 1998) 222 CHOP780205 Conformation α-helix (C-term) α-helix (C-terminal) Normalized f...sman, 1978b) 223 QIAN880111 Conformation α-helix (C-term) α-helix (C-terminal) Weights for ...owski, 1988) 224 QIAN880112 Conformation α-helix (C-term) α-helix (C-terminal) Weights for ...owski, 1988) 225 ROBB760104 Conformation α-helix (C-term) α-helix (C-terminal) Information ...uzuki, 1976) 226 RICJ880110 Conformation α-helix (C-term) α-helix (middle) Relative pre...rdson, 1988) 227 ISOY800108 Conformation α-helix (left-handed) Coil (normal...rolin value) Normalized r...t al., 1980) 228 TANS770109 Conformation α-helix (left-handed) Coil (normal...rolin value) Normalized f...eraga, 1977) 229 KIMC930101 Conformation α-helix (left-handed) Free energy (β-sheet) Thermodynami...-Berg, 1993) 230 AURR980117 Conformation α-helix (left-handed) α-helix (C-t...inal, C-cap) Normalized p...-Rose, 1998) 231 RICJ880115 Conformation α-helix (left-handed) α-helix (C-t...inal, C-cap) Relative pre...rdson, 1988) 232 KOEP990101 Conformation α-helix (left-handed) α-helix (left-handed) Alpha-helix ...evitt, 1999) 233 MAXF760104 Conformation α-helix (left-handed) α-helix (left-handed) Normalized f...eraga, 1976) 234 MAXF760105 Conformation α-helix (left-handed) α-helix (left-handed) Normalized f...eraga, 1976) 235 RACS820109 Conformation α-helix (left-handed) α-helix (left-handed) Average rela...eraga, 1982) 236 TANS770107 Conformation α-helix (left-handed) α-helix (left-handed) Normalized f...eraga, 1977) 237 PALJ810113 Conformation α-helix (left-handed) β-turn (α class) Normalized f...t al., 1981) 238 CHOP780206 Conformation α-helix (N-cap) Non helical ...(N-terminal) Normalized f...sman, 1978b) 239 AURR980104 Conformation α-helix (N-cap) α-helix (N-t...inal, N-cap) Normalized p...-Rose, 1998) 240 AURR980105 Conformation α-helix (N-cap) α-helix (N-t...inal, N-cap) Normalized p...-Rose, 1998) 241 RICJ880103 Conformation α-helix (N-cap) α-helix (N-t...inal, N-cap) Relative pre...rdson, 1988) 242 FINA910101 Conformation α-helix (N-cap) α-helix initiation Helix initia...t al., 1991) 243 AURR980103 Conformation α-helix (N-term, out) α-helix (N-t...al, outside) Normalized p...-Rose, 1998) 244 RICJ880101 Conformation α-helix (N-term, out) α-helix (N-t...al, outside) Relative pre...rdson, 1988) 245 RICJ880102 Conformation α-helix (N-term, out) α-helix (N-t...al, outside) Relative pre...rdson, 1988) 246 AURR980107 Conformation α-helix (N-term) α-helix (N-t...nal, inside) Normalized p...-Rose, 1998) 247 QIAN880102 Conformation α-helix (N-term) α-helix (N-t...nal, inside) Weights for ...owski, 1988) 248 AURR980106 Conformation α-helix (N-term) α-helix (N-terminal) Normalized p...-Rose, 1998) 249 CHOP780204 Conformation α-helix (N-term) α-helix (N-terminal) Normalized f...sman, 1978b) 250 RICJ880105 Conformation α-helix (N-term) α-helix (N-terminal) Relative pre...rdson, 1988) 251 RICJ880106 Conformation α-helix (N-term) α-helix (N-terminal) Relative pre...rdson, 1988) 252 ROBB760102 Conformation α-helix (N-term) α-helix (N-terminal) Information ...uzuki, 1976) 253 PALJ810108 Conformation α-helix (α-proteins) α-helix (N-t...nal, inside) Normalized f...t al., 1981) 254 QIAN880103 Conformation α-helix (α-proteins) α-helix (N-t...nal, inside) Weights for ...owski, 1988) 255 RACS820102 Conformation α-helix (α-proteins) α-helix (right-handed) Average rela...eraga, 1982) 256 GEIM800102 Conformation α-helix (α-proteins) α-helix (α-proteins) Alpha-helix ...berts, 1980) 257 PALJ810107 Conformation α-helix (α-proteins) α-helix (α-proteins) Normalized f...t al., 1981) 258 RACS820105 Conformation β-sheet Extended Average rela...eraga, 1982) 259 BEGF750102 Conformation β-sheet β-sheet Conformation...Dirkx, 1975) 260 CHOP780202 Conformation β-sheet β-sheet Normalized f...sman, 1978b) 261 CHOP780208 Conformation β-sheet β-sheet Normalized f...sman, 1978b) 262 CHOP780209 Conformation β-sheet β-sheet Normalized f...sman, 1978b) 263 CRAJ730102 Conformation β-sheet β-sheet Normalized f...t al., 1973) 264 KANM800102 Conformation β-sheet β-sheet Average rela...Tsong, 1980) 265 LEVM780102 Conformation β-sheet β-sheet Normalized f...evitt, 1978) 266 LEVM780105 Conformation β-sheet β-sheet Normalized f...evitt, 1978) 267 NAGK730102 Conformation β-sheet β-sheet Normalized f...agano, 1973) 268 PALJ810103 Conformation β-sheet β-sheet Normalized f...t al., 1981) 269 PALJ810104 Conformation β-sheet β-sheet Normalized f...t al., 1981) 270 PALJ810110 Conformation β-sheet β-sheet Normalized f...t al., 1981) 271 PALJ810111 Conformation β-sheet β-sheet Normalized f...t al., 1981) 272 PALJ810112 Conformation β-sheet β-sheet Normalized f...t al., 1981) 273 PRAM900103 Conformation β-sheet β-sheet Relative fre...karan, 1990) 274 QIAN880118 Conformation β-sheet β-sheet Weights for ...owski, 1988) 275 QIAN880119 Conformation β-sheet β-sheet Weights for ...owski, 1988) 276 QIAN880120 Conformation β-sheet β-sheet Weights for ...owski, 1988) 277 QIAN880121 Conformation β-sheet β-sheet Weights for ...owski, 1988) 278 ROBB760106 Conformation β-sheet β-sheet Information ...uzuki, 1976) 279 ISOY800105 Conformation β-sheet (C-term) β-sheet (C-terminal) Normalized r...t al., 1980) 280 QIAN880124 Conformation β-sheet (C-term) β-sheet (C-terminal) Weights for ...owski, 1988) 281 QIAN880125 Conformation β-sheet (C-term) β-sheet (C-terminal) Weights for ...owski, 1988) 282 QIAN880126 Conformation β-sheet (C-term) β-sheet (C-terminal) Weights for ...owski, 1988) 283 CHOP780212 Conformation β-sheet (C-term) β-turn (1st residue) Frequency of...sman, 1978b) 284 KOEP990102 Conformation β-sheet (N-term) Extended (de...ned β-sheet) Beta-sheet p...evitt, 1999) 285 RACS820101 Conformation β-sheet (N-term) α-helix with...tructure (i) Average rela...eraga, 1982) 286 QIAN880114 Conformation β-sheet (N-term) β-sheet (N-terminal) Weights for ...owski, 1988) 287 QIAN880115 Conformation β-sheet (N-term) β-sheet (N-terminal) Weights for ...owski, 1988) 288 QIAN880116 Conformation β-sheet (N-term) β-sheet (N-terminal) Weights for ...owski, 1988) 289 BURA740102 Conformation β-strand Extended Normalized f...t al., 1974) 290 ISOY800102 Conformation β-strand Extended Normalized r...t al., 1980) 291 MAXF760102 Conformation β-strand Extended Normalized f...eraga, 1976) 292 RACS820111 Conformation β-strand Extended Average rela...eraga, 1982) 293 ROBB760105 Conformation β-strand Extended Information ...uzuki, 1976) 294 TANS770103 Conformation β-strand Extended Normalized f...eraga, 1977) 295 BAEK050101 Conformation β-strand Linker index...long region) Linker index...t al., 2005) 296 KANM800104 Conformation β-strand β-sheet Average rela...Tsong, 1980) 297 QIAN880122 Conformation β-strand β-sheet Weights for ...owski, 1988) 298 GEIM800105 Conformation β-strand β-strand Beta-strand ...berts, 1980) 299 GEIM800106 Conformation β-strand β-strand Beta-strand ...berts, 1980) 300 GEIM800107 Conformation β-strand β-strand Beta-strand ...berts, 1980) 301 LIFS790101 Conformation β-strand β-strand Conformation...ander, 1979) 302 LIFS790102 Conformation β-strand β-strand Conformation...ander, 1979) 303 LIFS790103 Conformation β-strand β-strand Conformation...ander, 1979) 304 RACS820110 Conformation β-turn Extended (left-handed) Average rela...eraga, 1982) 305 RACS820106 Conformation β-turn Extended (right-handed) Average rela...eraga, 1982) 306 CHOP780211 Conformation β-turn Non β region (C-terminal) Normalized f...sman, 1978b) 307 BEGF750103 Conformation β-turn β-turn Conformation...Dirkx, 1975) 308 CHOP780101 Conformation β-turn β-turn Normalized f...sman, 1978a) 309 CHOP780203 Conformation β-turn β-turn Normalized f...sman, 1978b) 310 CRAJ730103 Conformation β-turn β-turn Normalized f...t al., 1973) 311 ISOY800103 Conformation β-turn β-turn Normalized r...t al., 1980) 312 LEVM780103 Conformation β-turn β-turn Normalized f...evitt, 1978) 313 LEVM780106 Conformation β-turn β-turn Normalized f...evitt, 1978) 314 LEWP710101 Conformation β-turn β-turn Frequency of...t al., 1971) 315 PALJ810105 Conformation β-turn β-turn Normalized f...t al., 1981) 316 PALJ810106 Conformation β-turn β-turn Normalized f...t al., 1981) 317 PALJ810114 Conformation β-turn β-turn Normalized f...t al., 1981) 318 PALJ810115 Conformation β-turn β-turn Normalized f...t al., 1981) 319 PRAM900104 Conformation β-turn β-turn Relative fre...karan, 1990) 320 ROBB760113 Conformation β-turn β-turn Information ...uzuki, 1976) 321 TANS770110 Conformation β-turn β-turn Normalized f...eraga, 1977) 322 CHOP780216 Conformation β-turn β-turn (middle) Normalized f...sman, 1978b) 323 ROBB760110 Conformation β-turn β-turn (middle) Information ...uzuki, 1976) 324 PALJ810116 Conformation β-turn β-turn (α/β class) Normalized f...t al., 1981) 325 RACS820107 Conformation β-turn (C-term) α-helix with...ucture (i+1) Average rela...eraga, 1982) 326 ROBB760108 Conformation β-turn (C-term) β-turn Information ...uzuki, 1976) 327 CHOP780214 Conformation β-turn (C-term) β-turn (3rd residue) Frequency of...sman, 1978b) 328 TANS770105 Conformation β-turn (C-term) β-turn (3rd residue) Normalized f...eraga, 1977) 329 CHOP780215 Conformation β-turn (C-term) β-turn (4th residue) Frequency of...sman, 1978b) 330 ROBB760111 Conformation β-turn (C-term) β-turn (C-terminal) Information ...uzuki, 1976) 331 GEIM800109 Conformation β-turn (N-term) Aperiodic indices Aperiodic in...berts, 1980) 332 CHOP780210 Conformation β-turn (N-term) Non β region (N-terminal) Normalized f...sman, 1978b) 333 ROBB760109 Conformation β-turn (N-term) β-turn (1st residue) Information ...uzuki, 1976) 334 CHOP780213 Conformation β-turn (N-term) β-turn (2nd residue) Frequency of...sman, 1978b) 335 ISOY800104 Conformation β-turn (N-term) β-turn (2nd residue) Normalized r...t al., 1980) 336 TANS770104 Conformation β-turn (N-term) β-turn (2nd residue) Normalized f...eraga, 1977) 337 MONM990101 Conformation β-turn (TM helix) β-turn (TM helix) Turn propens...t al., 1999) 338 MONM990201 Conformation β-turn (TM helix) β-turn (TM helix) Averaged tur...t al., 1999) 339 TANS770106 Conformation β-turn (TM helix) β-turn in double bend Normalized f...eraga, 1977) 340 MAXF760103 Conformation β/α-bridge β/α-bridge Normalized f...eraga, 1976) 341 TANS770108 Conformation β/α-bridge β/α-bridge Normalized f...eraga, 1977) 342 SUYM030101 Conformation π-helix Linker index...long region) Linker prope...Ohara, 2003) 343 RICJ880107 Conformation π-helix α-helix Relative pre...rdson, 1988) 344 RICJ880111 Conformation π-helix α-helix Relative pre...rdson, 1988) 345 QIAN880113 Conformation π-helix α-helix (C-terminal) Weights for ...owski, 1988) 346 FODM020101 Conformation π-helix π-helix Propensity o...daghi, 2002) 347 KLEP840101 Energy Charge Charge Net charge (...t al., 1984) 348 CHAM830108 Energy Charge Charge (donor) A parameter ...arton, 1983) 349 FAUJ880112 Energy Charge (negative) Charge (negative) Negative cha...t al., 1988) 350 CHAM830107 Energy Charge (negative) Charge (transfer) A parameter ...arton, 1983) 351 FAUJ880111 Energy Charge (positive) Charge (positive) Positive cha...t al., 1988) 352 FAUJ880108 Energy Electron-ion...raction pot. Electrical Effect Localized El...t al., 1988) 353 COSI940101 Energy Electron-ion...raction pot. Electron-ion...on potential Electron-ion...Cosic, 1994) 354 VELV850101 Energy Electron-ion...raction pot. Electron-ion...on potential Electron-ion...t al., 1985) 355 HUTJ700102 Energy Entropy Entropy Absolute ent...chens, 1970) 356 HUTJ700103 Energy Entropy Entropy Entropy of f...chens, 1970) 357 OOBM770102 Energy Entropy Non-bonded e...rgy per atom Short and me...e-Ooi, 1977) 358 MUNV940101 Energy Free energy (folding) Free energy (α-helix) Free energy ...rrano, 1994) 359 MUNV940102 Energy Free energy (folding) Free energy (α-helix) Free energy ...rrano, 1994) 360 MUNV940103 Energy Free energy (folding) Free energy (β-strand) Free energy ...rrano, 1994) 361 MUNV940104 Energy Free energy (folding) Free energy (β-strand) Free energy ...rrano, 1994) 362 MUNV940105 Energy Free energy (folding) Free energy (β-strand) Free energy ...rrano, 1994) 363 YUTK870101 Energy Free energy (unfolding) Free energy (unfolding) Unfolding Gi...t al., 1987) 364 YUTK870102 Energy Free energy (unfolding) Free energy (unfolding) Unfolding Gi...t al., 1987) 365 YUTK870103 Energy Free energy (unfolding) Free energy (unfolding) Activation G...t al., 1987) 366 YUTK870104 Energy Free energy (unfolding) Free energy (unfolding) Activation G...t al., 1987) 367 JANJ790102 Energy Free energy (unfolding) Transfer fre...E) to inside Transfer fre...Janin, 1979) 368 RADA880104 Energy Free energy (unfolding) Transfer fre...E) to inside Transfer fre...enden, 1988) 369 RADA880105 Energy Free energy (unfolding) Transfer fre...E) to inside Transfer fre...enden, 1988) 370 RADA880107 Energy Free energy (unfolding) Transfer fre...E) to inside Energy trans...enden, 1988) 371 EISD860102 Energy Isoelectric point Atom-based h...hobic moment Atom-based h...chlan, 1986) 372 ZIMJ680104 Energy Isoelectric point Isoelectric point Isoelectric ...t al., 1968) 373 FAUJ880109 Energy Isoelectric point Number hydro... bond donors Number of hy...t al., 1988) 374 VASM830102 Energy Non-bonded energy Free energy (Extended) Relative pop...t al., 1983) 375 OOBM770104 Energy Non-bonded energy Non-bonded e... per residue Average non-...e-Ooi, 1977) 376 OOBM770105 Energy Non-bonded energy Non-bonded e... per residue Short and me...e-Ooi, 1977) 377 RADA880103 Energy Non-bonded energy TFE to inside Transfer fre...enden, 1988) 378 WERD780103 Energy Unclassified (Energy) Free energy (α-helix) Free energy ...eraga, 1978) 379 WERD780104 Energy Unclassified (Energy) Free energy (α-helix) Free energy ...eraga, 1978) 380 WERD780102 Energy Unclassified (Energy) Free energy change Free energy ...eraga, 1978) 381 HUTJ700101 Energy Unclassified (Energy) Heat capactiy Heat capacit...chens, 1970) 382 OOBM850103 Energy Unclassified (Energy) Transfer fre...energy (TFE) Optimized tr...t al., 1985) 383 DAYM780201 Others Mutability Mutability Relative mut... al., 1978b) 384 JOND920102 Others Mutability Mutability Relative mut...t al., 1992) 385 WEBA780101 Others Mutability RF value RF value in ...Lacey, 1978) 386 SNEP660101 Others PC 1 Principal Co...t 1 (Sneath) Principal co...neath, 1966) 387 ZIMJ680105 Others PC 2 Principal Co... (Zimmerman) RF rank (Zim...t al., 1968) 388 SNEP660102 Others PC 2 Principal Co...t 2 (Sneath) Principal co...neath, 1966) 389 WOLS870102 Others PC 3 Principal Co...ent 2 (Wold) Principal pr...t al., 1987) 390 SNEP660103 Others PC 3 Principal Co...t 3 (Sneath) Principal co...neath, 1966) 391 WOLS870103 Others PC 4 Principal Co...ent 3 (Wold) Principal pr...t al., 1987) 392 SNEP660104 Others PC 4 Principal Co...t 4 (Sneath) Principal co...neath, 1966) 393 PARJ860101 Others PC 5 HPLC parameter HPLC paramet...t al., 1986) 394 WOLS870101 Others PC 5 Principal Co...ent 1 (Wold) Principal pr...t al., 1987) 395 VENT840101 Others Unclassified (Others) Bitterness Bitterness (...nanzi, 1984) 396 KHAG800101 Others Unclassified (Others) Kerr-constant The Kerr-con...Moore, 1980) 397 FASG760102 Others Unclassified (Others) Melting point Melting Poin...asman, 1976) 398 FASG760103 Others Unclassified (Others) Optical rotation Optical rota...asman, 1976) 399 ONEK900101 Others Unclassified (Others) ΔG values in peptides Delta G valu...Grado, 1990) 400 MITS020101 Polarity Amphiphilicity Amphiphilicity Amphiphilici...t al., 2002) 401 GARJ730101 Polarity Amphiphilicity Partition coefficient Partition Co...t al., 1973) 402 ZASB820101 Polarity Amphiphilicity Partition coefficient Dependence o...t al., 1982) 403 CHAM820101 Polarity Amphiphilicity Polarizability Polarizabili...arton, 1982) 404 MCMT640101 Polarity Amphiphilicity Refractivity Refractivity...Jones (1975) 405 LEVM760107 Polarity Amphiphilicity van der Waal...eter epsilon van der Waal...evitt, 1976) 406 CORJ870101 Polarity Amphiphilicity (α-helix) Amphiphilicity (α-helix) NNEIG index ...t al., 1987) 407 CORJ870102 Polarity Amphiphilicity (α-helix) Amphiphilicity (α-helix) SWEIG index ...t al., 1987) 408 CORJ870103 Polarity Amphiphilicity (α-helix) Amphiphilicity (α-helix) PRIFT index ...t al., 1987) 409 CORJ870104 Polarity Amphiphilicity (α-helix) Amphiphilicity (α-helix) PRILS index ...t al., 1987) 410 CORJ870105 Polarity Amphiphilicity (α-helix) Amphiphilicity (α-helix) ALTFT index ...t al., 1987) 411 CORJ870106 Polarity Amphiphilicity (α-helix) Amphiphilicity (α-helix) ALTLS index ...t al., 1987) 412 CORJ870107 Polarity Amphiphilicity (α-helix) Amphiphilicity (α-helix) TOTFT index ...t al., 1987) 413 ROSG850102 Polarity Amphiphilicity (α-helix) Mean fractional area loss Mean fractio...t al., 1985) 414 DESM900101 Polarity Amphiphilicity (α-helix) Membrane preference Membrane pre...t al., 1990) 415 DESM900102 Polarity Amphiphilicity (α-helix) Membrane preference Average memb...t al., 1990) 416 NAKH900110 Polarity Amphiphilicity (α-helix) Membrane preference Normalized c...t al., 1990) 417 MEIH800103 Polarity Amphiphilicity (α-helix) Side chain angle (phi) Average side...t al., 1980) 418 ARGP820102 Polarity Amphiphilicity (α-helix) Signal seque...al potential Signal seque...t al., 1982) 419 HOPA770101 Polarity Hydrophilicity Hydration Number Hydration Nu...arton (1982) 420 OOBM770101 Polarity Hydrophilicity Non-bonded e...rgy per atom Average non-...e-Ooi, 1977) 421 OOBM850104 Polarity Hydrophilicity Non-bonded e...rgy per atom Optimized av...t al., 1985) 422 FAUJ880110 Polarity Hydrophilicity Number full ...ing orbitals Number of fu...t al., 1988) 423 ENGD860101 Polarity Hydrophilicity Polarity (hydrophilicity) Hydrophobici...t al., 1986) 424 FASG890101 Polarity Hydrophilicity Polarity (hydrophilicity) Hydrophobici...asman, 1989) 425 GRAR740102 Polarity Hydrophilicity Polarity (hydrophilicity) Polarity (Grantham, 1974) 426 HOPT810101 Polarity Hydrophilicity Polarity (hydrophilicity) Hydrophilici...Woods, 1981) 427 KIDA850101 Polarity Hydrophilicity Polarity (hydrophilicity) Hydrophobici...t al., 1985) 428 KOEH090101 Polarity Hydrophilicity Polarity (hydrophilicity) Hydrophobici...t al. (2009) 429 KOEH090102 Polarity Hydrophilicity Polarity (hydrophilicity) Hydrophobici...t al. (2009) 430 KOEH090103 Polarity Hydrophilicity Polarity (hydrophilicity) Hydrophobici...t al. (2009) 431 KOEH090104 Polarity Hydrophilicity Polarity (hydrophilicity) Hydrophobici...t al. (2009) 432 KOEH090105 Polarity Hydrophilicity Polarity (hydrophilicity) Hydrophobici...t al. (2009) 433 KOEH090106 Polarity Hydrophilicity Polarity (hydrophilicity) Hydrophobici...t al. (2009) 434 KOEH090107 Polarity Hydrophilicity Polarity (hydrophilicity) Hydrophobici...t al. (2009) 435 KOEH090108 Polarity Hydrophilicity Polarity (hydrophilicity) Hydrophobici...t al. (2009) 436 KOEH090109 Polarity Hydrophilicity Polarity (hydrophilicity) Unified Hydr...t al., 2009) 437 KOEH090110 Polarity Hydrophilicity Polarity (hydrophilicity) Mammalian Hy...t al., 2009) 438 KOEH090111 Polarity Hydrophilicity Polarity (hydrophilicity) Hydrophobici...t al. (2009) 439 KUHL950101 Polarity Hydrophilicity Polarity (hydrophilicity) Hydrophilici...t al., 1995) 440 LEVM760101 Polarity Hydrophilicity Polarity (hydrophilicity) Hydrophobic ...evitt, 1976) 441 PRAM900101 Polarity Hydrophilicity Polarity (hydrophilicity) Hydrophobici...karan, 1990) 442 WOEC730101 Polarity Hydrophilicity Polarity (hydrophilicity) Polar requir...Woese, 1973) 443 ZIMJ680103 Polarity Hydrophilicity Polarity (hydrophilicity) Polarity (Zi...t al., 1968) 444 ROSM880101 Polarity Hydrophilicity Side chain hydropathy Side chain h...seman, 1988) 445 ROSM880102 Polarity Hydrophilicity Side chain hydropathy Side chain h...seman, 1988) 446 CORJ870108 Polarity Hydrophilicity TOTLS index TOTLS index ...t al., 1987) 447 MIYS850101 Polarity Hydrophobicity Effective pa...ition energy Effective pa...nigan, 1985) 448 ROBB790101 Polarity Hydrophobicity Hydration free energy Hydration fr...horpe, 1979) 449 ARGP820101 Polarity Hydrophobicity Hydrophobicity Hydrophobici...t al., 1982) 450 CIDH920101 Polarity Hydrophobicity Hydrophobicity Normalized h...t al., 1992) 451 CIDH920102 Polarity Hydrophobicity Hydrophobicity Normalized h...t al., 1992) 452 CIDH920103 Polarity Hydrophobicity Hydrophobicity Normalized h...t al., 1992) 453 CIDH920104 Polarity Hydrophobicity Hydrophobicity Normalized h...t al., 1992) 454 CIDH920105 Polarity Hydrophobicity Hydrophobicity Normalized a...t al., 1992) 455 EISD840101 Polarity Hydrophobicity Hydrophobicity Consensus no...nberg, 1984) 456 EISD860103 Polarity Hydrophobicity Hydrophobicity Direction of...chlan, 1986) 457 FAUJ830101 Polarity Hydrophobicity Hydrophobicity Hydrophobic ...liska, 1983) 458 GOLD730101 Polarity Hydrophobicity Hydrophobicity Hydrophobici...ifoux, 1973) 459 JOND750101 Polarity Hydrophobicity Hydrophobicity Hydrophobici...Jones, 1975) 460 JURD980101 Polarity Hydrophobicity Hydrophobicity Modified Kyt...t al., 1998) 461 KYTJ820101 Polarity Hydrophobicity Hydrophobicity Hydropathy i...ittle, 1982) 462 NADH010102 Polarity Hydrophobicity Hydrophobicity Hydropathy s...t al., 2001) 463 NADH010103 Polarity Hydrophobicity Hydrophobicity Hydropathy s...t al., 2001) 464 NADH010104 Polarity Hydrophobicity Hydrophobicity Hydropathy s...t al., 2001) 465 PONP930101 Polarity Hydrophobicity Hydrophobicity Hydrophobici...swamy, 1993) 466 RADA880108 Polarity Hydrophobicity Hydrophobicity Mean polarit...enden, 1988) 467 SWER830101 Polarity Hydrophobicity Hydrophobicity Optimal matc...nberg, 1983) 468 WILM950101 Polarity Hydrophobicity Hydrophobicity Hydrophobici...t al., 1995) 469 WILM950102 Polarity Hydrophobicity Hydrophobicity Hydrophobici...t al., 1995) 470 ZIMJ680101 Polarity Hydrophobicity Hydrophobicity Hydrophobici...t al., 1968) 471 BROC820101 Polarity Hydrophobicity Hydrophobici...coefficient) Retention Co...t al., 1982) 472 GUOD860101 Polarity Hydrophobicity Hydrophobici...coefficient) Retention Co...t al., 1986) 473 MEEJ800101 Polarity Hydrophobicity Hydrophobici...coefficient) Retention Co...(Meek, 1980) 474 MEEJ800102 Polarity Hydrophobicity Hydrophobici...coefficient) Retention Co...(Meek, 1980) 475 MEEJ810101 Polarity Hydrophobicity Hydrophobici...coefficient) Retention Co...setti, 1981) 476 MEEJ810102 Polarity Hydrophobicity Hydrophobici...coefficient) Retention Co...setti, 1981) 477 BROC820102 Polarity Hydrophobicity Retention coefficient Retention Co...t al., 1982) 478 EISD860101 Polarity Hydrophobicity Solvation free energy Solvation fr...chlan, 1986) 479 NOZY710101 Polarity Hydrophobicity Transfer fre...energy (TFE) Transfer ene...nford, 1971) 480 LAWE840101 Polarity Hydrophobicity Transfer fre...) to outside Transfer fre...t al., 1984) 481 RADA880101 Polarity Hydrophobicity Transfer fre...) to outside Transfer fre...enden, 1988) 482 RADA880102 Polarity Hydrophobicity Transfer fre...) to outside Transfer fre...enden, 1988) 483 SIMZ760101 Polarity Hydrophobicity Transfer fre...) to outside Transfer fre...arton (1982) 484 WIMW960101 Polarity Hydrophobicity Transfer fre...) to outside Free energie...White, 1996) 485 CHAM820102 Polarity Hydrophobici... (interface) Free energy (interface) Free energy ...arton, 1982) 486 KOEH090112 Polarity Hydrophobici... (interface) Hydrophobici... (interface) Hydrophobici...t al., 2009) 487 WILM950103 Polarity Hydrophobici... (interface) Hydrophobici... (interface) Hydrophobici...t al., 1995) 488 WOLR790101 Polarity Hydrophobici...surrounding) Hydration potential Hydrophobici...t al., 1979) 489 WOLR810101 Polarity Hydrophobici...surrounding) Hydration potential Hydration po...t al., 1981) 490 CASG920101 Polarity Hydrophobici...surrounding) Hydrophobicity Hydrophobici...Sippl, 1992) 491 COWR900101 Polarity Hydrophobici...surrounding) Hydrophobicity Hydrophobici...taker, 1990) 492 NADH010101 Polarity Hydrophobici...surrounding) Hydrophobicity Hydropathy s...t al., 2001) 493 NADH010105 Polarity Hydrophobici...surrounding) Hydrophobicity Hydropathy s...t al., 2001) 494 NADH010106 Polarity Hydrophobici...surrounding) Hydrophobicity Hydropathy s...t al., 2001) 495 JACR890101 Polarity Hydrophobici...surrounding) Hydrophobici...surrounding) Weights from...White, 1989) 496 BLAS910101 Polarity Hydrophobici...surrounding) Side chain hydrophobicity Scaled side ...Mould, 1991) 497 MANP780101 Polarity Hydrophobici...surrounding) Surrounding ...drophobicity Average surr...swamy, 1978) 498 PONP800101 Polarity Hydrophobici...surrounding) Surrounding ...drophobicity Surrounding ...t al., 1980) 499 PONP800102 Polarity Hydrophobici...surrounding) Surrounding ...drophobicity Average gain...t al., 1980) 500 PONP800103 Polarity Hydrophobici...surrounding) Surrounding ...drophobicity Average gain...t al., 1980) 501 PONP800104 Polarity Hydrophobici...surrounding) Surrounding ...drophobicity Surrounding ...t al., 1980) 502 PONP800105 Polarity Hydrophobici...surrounding) Surrounding ...drophobicity Surrounding ...t al., 1980) 503 PONP800106 Polarity Hydrophobici...surrounding) Surrounding ...drophobicity Surrounding ...t al., 1980) 504 PONP800108 Polarity Hydrophobici...surrounding) Surrounding ...drophobicity Average numb...t al., 1980) 505 WILM950104 Polarity Unclassified (Polarity) Hydrophobicity Hydrophobici...t al., 1995) 506 NADH010107 Polarity Unclassified (Polarity) Hydrophobici...tion values) Hydropathy s...t al., 2001) 507 FASG760105 Polarity Unclassified (Polarity) pK-C pK-C (Fasman, 1976) 508 FAUJ880113 Polarity Unclassified (Polarity) pK-C pK-a(RCOOH) ...t al., 1988) 509 JOND750102 Polarity Unclassified (Polarity) pK-C pK (-COOH) (Jones, 1975) 510 FASG760104 Polarity Unclassified (Polarity) pK-N pK-N (Fasman, 1976) 511 KARS160111 Shape Graph (1. eigenvalue) Eigenvalue (average) Average eige...isley, 2016) 512 KARS160121 Shape Graph (1. eigenvalue) Eigenvalue (average) Weighted ave...isley, 2016) 513 KARS160109 Shape Graph (1. eigenvalue) Eigenvalue (maximum) Maximum eige...isley, 2016) 514 KARS160119 Shape Graph (1. eigenvalue) Eigenvalue (maximum) Weighted max...isley, 2016) 515 KARS160108 Shape Graph (1. eigenvalue) Graph (weighted degree) Average weig...isley, 2016) 516 KARS160112 Shape Graph (2. eigenvalue) Eigenvalue (2. smallest) Second small...isley, 2016) 517 KARS160122 Shape Graph (2. eigenvalue) Eigenvalue (2. smallest) Weighted sec...isley, 2016) 518 RACS820114 Shape Graph (2. eigenvalue) Side chain angle (Theta) Value of the...eraga, 1982) 519 PRAM820101 Shape Reduced distance Intercept in regression Intercept in...swamy, 1982) 520 MEIH800101 Shape Reduced distance Reduced distance (C-α) Average redu...t al., 1980) 521 RACS770101 Shape Reduced distance Reduced distance (C-α) Average redu...eraga, 1977) 522 MEIH800102 Shape Reduced distance Reduced dist...(side chain) Average redu...t al., 1980) 523 RACS770102 Shape Reduced distance Reduced dist...(side chain) Average redu...eraga, 1977) 524 PRAM820103 Shape Shape and Surface Correlation ...n regression Correlation ...swamy, 1982) 525 LEVM760104 Shape Shape and Surface Side chain angle (Phi) Side chain t...evitt, 1976) 526 PRAM820102 Shape Shape and Surface Slope in Regression Slope in Reg...swamy, 1982) 527 KARS160117 Shape Side chain length Atomic number (total) Total weight...isley, 2016) 528 KARS160105 Shape Side chain length Eccentricity (average) Average ecce...isley, 2016) 529 KARS160114 Shape Side chain length Eccentricity (average) Average weig...isley, 2016) 530 KARS160107 Shape Side chain length Eccentricity (maximum) Diameter (ma...isley, 2016) 531 KARS160116 Shape Side chain length Eccentricity (maximum) Weighted dia...isley, 2016) 532 KARS160106 Shape Side chain length Eccentricity (minimum) Radius (mini...isley, 2016) 533 KARS160115 Shape Side chain length Eccentricity (minimum) Weighted rad...isley, 2016) 534 KARS160104 Shape Side chain length Graph (domination number) Weighted dom...isley, 2016) 535 KARS160113 Shape Side chain length Graph (domination number) Weighted dom...isley, 2016) 536 KARS160101 Shape Side chain length Graph (order) Number of ve...isley, 2016) 537 KARS160102 Shape Side chain length Graph (size) Number of ed...isley, 2016) 538 KARS160103 Shape Side chain length Graph (weighted degree) Total weight...isley, 2016) 539 CHAM830104 Shape Side chain length n atoms in s... chain (2+1) The number o...arton, 1983) 540 CHAM830105 Shape Side chain length n atoms in s... chain (3+1) The number o...arton, 1983) 541 CHAM830106 Shape Side chain length n bonds in longest chain The number o...arton, 1983) 542 LEVM760102 Shape Side chain length Side chain length Distance bet...evitt, 1976) 543 LEVM760105 Shape Side chain length Side chain length Radius of gy...evitt, 1976) 544 FAUJ880104 Shape Side chain length Steric parameter STERIMOL len...t al., 1988) 545 FAUJ880106 Shape Side chain length Steric param...mum width R) STERIMOL max...t al., 1988) 546 CHAM830103 Shape Steric parameter n atoms in s... chain (1+1) The number o...arton, 1983) 547 FAUJ880101 Shape Steric parameter Shape Index Graph shape ...t al., 1988) 548 LEVM760103 Shape Steric parameter Side chain angle (theta) Side chain a...evitt, 1976) 549 CHAM810101 Shape Steric parameter Steric parameter Steric param...arton, 1981) 550 FAUJ880102 Shape Steric parameter Steric parameter Smoothed ups...t al., 1988) 551 FAUJ880105 Shape Steric parameter Steric param...mum width R) STERIMOL min...t al., 1988) 552 KARS160118 Shape Unclassified (Shape) Atomic number (average) Average weig...isley, 2016) 553 KARS160110 Shape Unclassified (Shape) Eigenvalue (minimum) Minimum eige...isley, 2016) 554 KARS160120 Shape Unclassified (Shape) Eigenvalue (minimum) Weighted min...isley, 2016) 555 RACS820113 Shape Unclassified (Shape) Side chain angle (theta) Value of the...eraga, 1982) 556 ROSM880103 Structure-Activity Backbone-dynamics (-CH) Loss of hydr...ix formation Loss of Side...seman, 1988) 557 ANDN920101 Structure-Activity Backbone-dynamics (-CH) α-CH chemica...ne-dynamics) alpha-CH che...t al., 1992) 558 BUNA790102 Structure-Activity Backbone-dynamics (-CH) α-CH chemica...ne-dynamics) alpha-CH che...hrich, 1979) 559 BUNA790103 Structure-Activity Backbone-dynamics (-NH) Spin-spin coupling Spin-spin co...hrich, 1979) 560 BUNA790101 Structure-Activity Backbone-dynamics (-NH) α-NH chemica...ne-dynamics) alpha-NH che...hrich, 1979) 561 BHAR880101 Structure-Activity Flexibility Flexibility Average flex...swamy, 1988) 562 PARS000101 Structure-Activity Flexibility Flexibility p-Values of ...urthy, 2000) 563 PARS000102 Structure-Activity Flexibility Flexibility p-Values of ...urthy, 2000) 564 VINM940101 Structure-Activity Flexibility Flexibility Normalized f...t al., 1994) 565 KARP850101 Structure-Activity Flexibility Flexibility ...d neighbors) Flexibility ...chulz, 1985) 566 VINM940102 Structure-Activity Flexibility Flexibility ...d neighbors) Normalized f...t al., 1994) 567 KARP850102 Structure-Activity Flexibility Flexibility ...d neighbors) Flexibility ...chulz, 1985) 568 VINM940103 Structure-Activity Flexibility Flexibility ...d neighbors) Normalized f...t al., 1994) 569 KRIW710101 Structure-Activity Flexibility Side chain interaction Side chain i...Rubin, 1971) 570 KRIW790101 Structure-Activity Flexibility Side chain interaction Side chain i...oriya, 1979) 571 OOBM850105 Structure-Activity Flexibility Side chain interaction Optimized si...t al., 1985) 572 KARP850103 Structure-Activity Flexibility ...d neighbors) Flexibility ...d neighbors) Flexibility ...chulz, 1985) 573 KRIW790102 Structure-Activity Flexibility ...d neighbors) Flexibility ...d neighbors) Fraction of ...oriya, 1979) 574 VINM940104 Structure-Activity Flexibility ...d neighbors) Flexibility ...d neighbors) Normalized f...t al., 1994) 575 BASU050102 Structure-Activity Stability Interactivity Interactivit...t al., 2005) 576 TAKK010101 Structure-Activity Stability Stability Side-chain c...utani, 2001) 577 ZHOH040101 Structure-Activity Stability Stability The stabilit...-Zhou, 2004) 578 ZHOH040102 Structure-Activity Stability Stability The relative...-Zhou, 2004) 579 OOBM850101 Structure-Activity Stability Stability (extended-coil) Optimized be...t al., 1985) 580 PTIO830102 Structure-Activity Stability Stability (extended-coil) Beta-coil eq...stein, 1983) 581 FAUJ880107 Structure-Activity Stability α-CH chemica...ne-dynamics) N.m.r. chemi...t al., 1988) 582 GEOR030108 Structure-Activity Stability (helix-coil) Linker (helical) Linker prope...ringa, 2003) 583 FINA770101 Structure-Activity Stability (helix-coil) Stability (helix-coil) Helix-coil e...itsyn, 1977) 584 PTIO830101 Structure-Activity Stability (helix-coil) Stability (helix-coil) Helix-coil e...stein, 1983) 585 SUEM840101 Structure-Activity Stability (helix-coil) Stability (helix-coil) Zimm-Bragg p...t al., 1984) 586 SUEM840102 Structure-Activity Unclassified...re-Activity) Stability (extended-coil) Zimm-Bragg p...t al., 1984) Additionally, we created tested a plethora of scale sets (see [Breimann24a]_) on 12 different protein benchmarking datasets (6 at sequence level and 6 at amino acid level, represented by 3 different amino acid windows, yielding 24 evaluations) to compile the 60 best performing scales sets (top60), which can be retrieved by setting
name='top60':df_top60 = aa.load_scales(name="top60") aa.display_df(df_top60, show_shape=True)
DataFrame shape: (60, 586)
ANDN920101 ARGP820101 ARGP820102 ARGP820103 BEGF750101 BEGF750102 BEGF750103 BHAR880101 BIGC670101 BIOV880101 BIOV880102 BROC820101 BROC820102 BULH740101 BULH740102 BUNA790101 BUNA790102 BUNA790103 BURA740101 BURA740102 CHAM810101 CHAM820101 CHAM820102 CHAM830101 CHAM830102 CHAM830103 CHAM830104 CHAM830105 CHAM830106 CHAM830107 CHAM830108 CHOC750101 CHOC760101 CHOC760102 CHOC760103 CHOC760104 CHOP780101 CHOP780201 CHOP780202 CHOP780203 CHOP780204 CHOP780205 CHOP780206 CHOP780207 CHOP780208 CHOP780209 CHOP780210 CHOP780211 CHOP780212 CHOP780213 CHOP780214 CHOP780215 CHOP780216 CIDH920101 CIDH920102 CIDH920103 CIDH920104 CIDH920105 COHE430101 CRAJ730101 CRAJ730102 CRAJ730103 DAWD720101 DAYM780101 DAYM780201 DESM900101 DESM900102 EISD840101 EISD860101 EISD860102 EISD860103 FASG760101 FASG760102 FASG760103 FASG760104 FASG760105 FAUJ830101 FAUJ880101 FAUJ880102 FAUJ880103 FAUJ880104 FAUJ880105 FAUJ880106 FAUJ880107 FAUJ880108 FAUJ880109 FAUJ880110 FAUJ880111 FAUJ880112 FAUJ880113 FINA770101 FINA910101 FINA910102 FINA910103 FINA910104 GARJ730101 GEIM800101 GEIM800102 GEIM800103 GEIM800104 GEIM800105 GEIM800106 GEIM800107 GEIM800108 GEIM800109 GEIM800110 GEIM800111 GOLD730101 GOLD730102 GRAR740101 GRAR740102 GRAR740103 GUYH850101 HOPA770101 HOPT810101 HUTJ700101 HUTJ700102 HUTJ700103 ISOY800101 ISOY800102 ISOY800103 ISOY800104 ISOY800105 ISOY800106 ISOY800107 ISOY800108 JANJ780101 JANJ780102 JANJ780103 JANJ790101 JANJ790102 JOND750101 JOND750102 JOND920101 JOND920102 JUKT750101 JUNJ780101 KANM800101 KANM800102 KANM800103 KANM800104 KARP850101 KARP850102 KARP850103 KHAG800101 KLEP840101 KRIW710101 KRIW790101 KRIW790102 KRIW790103 KYTJ820101 LAWE840101 LEVM760101 LEVM760102 LEVM760103 LEVM760104 LEVM760105 LEVM760106 LEVM760107 LEVM780101 LEVM780102 LEVM780103 LEVM780104 LEVM780105 LEVM780106 LEWP710101 LIFS790101 LIFS790102 LIFS790103 MANP780101 MAXF760101 MAXF760102 MAXF760103 MAXF760104 MAXF760105 MAXF760106 MCMT640101 MEEJ800101 MEEJ800102 MEEJ810101 MEEJ810102 MEIH800101 MEIH800102 MEIH800103 MIYS850101 NAGK730101 NAGK730102 NAGK730103 NAKH900101 NAKH900102 NAKH900103 NAKH900104 NAKH900105 NAKH900106 NAKH900107 NAKH900108 NAKH900109 NAKH900110 NAKH900111 NAKH900112 NAKH900113 NAKH920101 NAKH920102 NAKH920103 NAKH920104 NAKH920105 NAKH920106 NAKH920107 NAKH920108 NISK800101 NISK860101 NOZY710101 OOBM770101 OOBM770102 OOBM770103 OOBM770104 OOBM770105 OOBM850101 OOBM850102 OOBM850103 OOBM850104 OOBM850105 PALJ810101 PALJ810102 PALJ810103 PALJ810104 PALJ810105 PALJ810106 PALJ810107 PALJ810108 PALJ810109 PALJ810110 PALJ810111 PALJ810112 PALJ810113 PALJ810114 PALJ810115 PALJ810116 PARJ860101 PLIV810101 PONP800101 PONP800102 PONP800103 PONP800104 PONP800105 PONP800106 PONP800107 PONP800108 PRAM820101 PRAM820102 PRAM820103 PRAM900101 PRAM900102 PRAM900103 PRAM900104 PTIO830101 PTIO830102 QIAN880101 QIAN880102 QIAN880103 QIAN880104 QIAN880105 QIAN880106 QIAN880107 QIAN880108 QIAN880109 QIAN880110 QIAN880111 QIAN880112 QIAN880113 QIAN880114 QIAN880115 QIAN880116 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0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 AAC60 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 To obtain their evaluation, set
name='top60_eval':df_top60_eval = aa.load_scales(name="top60_eval") aa.display_df(df_top60_eval, show_shape=True)
DataFrame shape: (60, 25)
n_scales SEQ_AMYLO SEQ_CAPSID SEQ_DISULFIDE SEQ_LOCATION SEQ_SOLUBLE SEQ_TAIL AA5_CASPASE3 AA5_FURIN AA5_LDR AA5_MMP2 AA5_RNABIND AA5_SA AA9_CASPASE3 AA9_FURIN AA9_LDR AA9_MMP2 AA9_RNABIND AA9_SA AA13_CASPASE3 AA13_FURIN AA13_LDR AA13_MMP2 AA13_RNABIND AA13_SA top60_id AAC01 183 0.761000 0.827000 0.732000 0.746000 0.646000 0.884000 0.862000 0.901000 0.612000 0.680000 0.652000 0.642000 0.816000 0.916000 0.644000 0.703000 0.659000 0.664000 0.790000 0.918000 0.694000 0.681000 0.652000 0.615000 AAC02 170 0.747000 0.830000 0.733000 0.742000 0.653000 0.886000 0.855000 0.907000 0.608000 0.688000 0.660000 0.640000 0.819000 0.915000 0.642000 0.706000 0.657000 0.671000 0.792000 0.916000 0.690000 0.676000 0.656000 0.608000 AAC03 137 0.741000 0.829000 0.734000 0.746000 0.648000 0.884000 0.857000 0.904000 0.601000 0.685000 0.661000 0.640000 0.818000 0.917000 0.636000 0.710000 0.659000 0.670000 0.791000 0.914000 0.695000 0.684000 0.656000 0.613000 AAC04 144 0.747000 0.828000 0.731000 0.747000 0.654000 0.885000 0.859000 0.906000 0.605000 0.686000 0.657000 0.639000 0.822000 0.913000 0.640000 0.714000 0.654000 0.664000 0.790000 0.915000 0.689000 0.680000 0.656000 0.610000 AAC05 138 0.739000 0.830000 0.735000 0.752000 0.646000 0.888000 0.859000 0.906000 0.601000 0.684000 0.655000 0.638000 0.823000 0.916000 0.640000 0.713000 0.658000 0.671000 0.790000 0.918000 0.689000 0.682000 0.649000 0.607000 AAC06 139 0.743000 0.827000 0.736000 0.746000 0.652000 0.883000 0.857000 0.906000 0.608000 0.684000 0.657000 0.640000 0.821000 0.914000 0.642000 0.709000 0.659000 0.665000 0.789000 0.915000 0.691000 0.680000 0.653000 0.611000 AAC07 121 0.742000 0.833000 0.736000 0.747000 0.650000 0.882000 0.858000 0.901000 0.606000 0.688000 0.655000 0.638000 0.820000 0.915000 0.638000 0.711000 0.661000 0.671000 0.789000 0.914000 0.689000 0.682000 0.655000 0.606000 AAC08 142 0.743000 0.831000 0.733000 0.746000 0.650000 0.884000 0.858000 0.903000 0.603000 0.687000 0.657000 0.640000 0.819000 0.916000 0.640000 0.710000 0.658000 0.669000 0.787000 0.916000 0.689000 0.681000 0.654000 0.608000 AAC09 263 0.753000 0.826000 0.736000 0.747000 0.647000 0.882000 0.858000 0.905000 0.608000 0.684000 0.655000 0.648000 0.820000 0.918000 0.642000 0.703000 0.653000 0.664000 0.787000 0.915000 0.690000 0.679000 0.647000 0.614000 AAC10 152 0.750000 0.828000 0.734000 0.748000 0.646000 0.886000 0.860000 0.908000 0.602000 0.684000 0.656000 0.645000 0.819000 0.913000 0.632000 0.711000 0.655000 0.670000 0.787000 0.913000 0.689000 0.676000 0.653000 0.610000 AAC11 150 0.749000 0.832000 0.732000 0.751000 0.647000 0.883000 0.860000 0.904000 0.605000 0.695000 0.650000 0.637000 0.815000 0.919000 0.638000 0.707000 0.654000 0.665000 0.781000 0.913000 0.689000 0.683000 0.652000 0.610000 AAC12 164 0.750000 0.828000 0.739000 0.746000 0.646000 0.889000 0.859000 0.904000 0.608000 0.688000 0.649000 0.637000 0.818000 0.913000 0.638000 0.708000 0.658000 0.666000 0.785000 0.917000 0.688000 0.676000 0.648000 0.613000 AAC13 125 0.744000 0.831000 0.738000 0.749000 0.650000 0.882000 0.856000 0.903000 0.600000 0.682000 0.653000 0.632000 0.818000 0.916000 0.634000 0.716000 0.657000 0.670000 0.790000 0.915000 0.688000 0.680000 0.654000 0.612000 AAC14 108 0.743000 0.831000 0.741000 0.744000 0.645000 0.884000 0.860000 0.902000 0.610000 0.673000 0.655000 0.634000 0.820000 0.914000 0.645000 0.710000 0.654000 0.666000 0.794000 0.914000 0.689000 0.678000 0.655000 0.604000 AAC15 183 0.753000 0.827000 0.732000 0.744000 0.646000 0.883000 0.857000 0.903000 0.617000 0.684000 0.659000 0.637000 0.821000 0.914000 0.632000 0.708000 0.654000 0.660000 0.785000 0.915000 0.687000 0.682000 0.649000 0.611000 AAC16 255 0.755000 0.830000 0.732000 0.741000 0.645000 0.884000 0.858000 0.902000 0.611000 0.684000 0.649000 0.648000 0.821000 0.917000 0.635000 0.702000 0.656000 0.666000 0.789000 0.915000 0.682000 0.681000 0.644000 0.611000 AAC17 101 0.740000 0.835000 0.736000 0.744000 0.644000 0.884000 0.858000 0.904000 0.606000 0.680000 0.646000 0.631000 0.817000 0.916000 0.646000 0.705000 0.651000 0.666000 0.793000 0.915000 0.691000 0.686000 0.654000 0.609000 AAC18 154 0.757000 0.826000 0.730000 0.742000 0.643000 0.881000 0.856000 0.899000 0.602000 0.684000 0.657000 0.635000 0.825000 0.922000 0.636000 0.705000 0.662000 0.658000 0.792000 0.912000 0.685000 0.679000 0.654000 0.612000 AAC19 406 0.764000 0.826000 0.730000 0.745000 0.636000 0.887000 0.860000 0.901000 0.605000 0.683000 0.649000 0.635000 0.819000 0.920000 0.633000 0.707000 0.651000 0.669000 0.789000 0.909000 0.687000 0.679000 0.654000 0.610000 AAC20 90 0.740000 0.833000 0.737000 0.742000 0.646000 0.887000 0.857000 0.901000 0.608000 0.677000 0.654000 0.632000 0.819000 0.915000 0.652000 0.702000 0.656000 0.669000 0.789000 0.908000 0.695000 0.675000 0.644000 0.610000 AAC21 202 0.757000 0.828000 0.730000 0.742000 0.637000 0.883000 0.853000 0.909000 0.607000 0.679000 0.657000 0.633000 0.820000 0.918000 0.640000 0.710000 0.648000 0.657000 0.789000 0.916000 0.688000 0.682000 0.651000 0.612000 AAC22 259 0.757000 0.823000 0.733000 0.739000 0.642000 0.880000 0.859000 0.903000 0.599000 0.682000 0.650000 0.638000 0.826000 0.917000 0.635000 0.700000 0.655000 0.665000 0.788000 0.917000 0.686000 0.682000 0.655000 0.611000 AAC23 219 0.756000 0.826000 0.734000 0.745000 0.644000 0.880000 0.858000 0.899000 0.601000 0.693000 0.650000 0.639000 0.823000 0.917000 0.629000 0.700000 0.655000 0.660000 0.783000 0.913000 0.689000 0.682000 0.655000 0.610000 AAC24 305 0.756000 0.824000 0.740000 0.741000 0.641000 0.880000 0.859000 0.903000 0.601000 0.685000 0.652000 0.635000 0.818000 0.919000 0.634000 0.705000 0.655000 0.663000 0.788000 0.914000 0.683000 0.677000 0.659000 0.607000 AAC25 96 0.764000 0.831000 0.732000 0.744000 0.639000 0.879000 0.862000 0.905000 0.603000 0.678000 0.659000 0.633000 0.816000 0.917000 0.636000 0.707000 0.646000 0.663000 0.790000 0.916000 0.678000 0.676000 0.656000 0.605000 AAC26 96 0.741000 0.828000 0.734000 0.745000 0.642000 0.887000 0.855000 0.904000 0.602000 0.680000 0.655000 0.634000 0.816000 0.914000 0.639000 0.705000 0.650000 0.671000 0.792000 0.914000 0.698000 0.681000 0.646000 0.601000 AAC27 127 0.753000 0.832000 0.731000 0.744000 0.640000 0.880000 0.854000 0.901000 0.607000 0.680000 0.658000 0.638000 0.820000 0.912000 0.638000 0.700000 0.643000 0.663000 0.793000 0.914000 0.683000 0.681000 0.658000 0.611000 AAC28 58 0.737000 0.821000 0.736000 0.745000 0.654000 0.883000 0.858000 0.898000 0.600000 0.675000 0.652000 0.641000 0.822000 0.910000 0.642000 0.703000 0.654000 0.670000 0.789000 0.914000 0.691000 0.679000 0.655000 0.605000 AAC29 514 0.763000 0.824000 0.731000 0.746000 0.636000 0.880000 0.857000 0.900000 0.602000 0.675000 0.646000 0.635000 0.827000 0.914000 0.632000 0.705000 0.662000 0.666000 0.796000 0.908000 0.692000 0.679000 0.647000 0.610000 AAC30 573 0.763000 0.821000 0.732000 0.746000 0.644000 0.879000 0.854000 0.898000 0.606000 0.680000 0.655000 0.632000 0.818000 0.915000 0.633000 0.701000 0.659000 0.656000 0.793000 0.911000 0.682000 0.675000 0.664000 0.616000 AAC31 92 0.757000 0.821000 0.727000 0.747000 0.631000 0.879000 0.858000 0.900000 0.601000 0.685000 0.653000 0.641000 0.819000 0.918000 0.644000 0.711000 0.654000 0.662000 0.784000 0.912000 0.686000 0.678000 0.653000 0.611000 AAC32 431 0.761000 0.827000 0.736000 0.745000 0.637000 0.880000 0.857000 0.898000 0.602000 0.675000 0.651000 0.638000 0.818000 0.917000 0.634000 0.701000 0.670000 0.658000 0.792000 0.911000 0.678000 0.682000 0.650000 0.613000 AAC33 155 0.762000 0.817000 0.732000 0.739000 0.645000 0.877000 0.860000 0.902000 0.606000 0.678000 0.654000 0.631000 0.822000 0.916000 0.635000 0.700000 0.651000 0.661000 0.785000 0.922000 0.688000 0.683000 0.655000 0.608000 AAC34 49 0.755000 0.823000 0.729000 0.741000 0.640000 0.884000 0.859000 0.900000 0.602000 0.682000 0.667000 0.624000 0.818000 0.921000 0.634000 0.707000 0.645000 0.664000 0.787000 0.915000 0.688000 0.685000 0.649000 0.608000 AAC35 91 0.758000 0.822000 0.727000 0.741000 0.639000 0.875000 0.856000 0.904000 0.605000 0.679000 0.656000 0.632000 0.821000 0.912000 0.632000 0.702000 0.658000 0.658000 0.791000 0.914000 0.683000 0.678000 0.663000 0.618000 AAC36 103 0.759000 0.824000 0.734000 0.742000 0.642000 0.874000 0.864000 0.902000 0.600000 0.680000 0.657000 0.630000 0.817000 0.918000 0.634000 0.707000 0.651000 0.664000 0.787000 0.915000 0.688000 0.677000 0.646000 0.609000 AAC37 69 0.748000 0.823000 0.732000 0.738000 0.633000 0.882000 0.858000 0.899000 0.596000 0.684000 0.653000 0.635000 0.816000 0.919000 0.647000 0.706000 0.647000 0.655000 0.789000 0.916000 0.693000 0.682000 0.646000 0.606000 AAC38 46 0.766000 0.809000 0.731000 0.744000 0.620000 0.857000 0.857000 0.898000 0.609000 0.675000 0.650000 0.642000 0.815000 0.916000 0.650000 0.701000 0.661000 0.664000 0.783000 0.921000 0.685000 0.679000 0.652000 0.618000 AAC39 114 0.755000 0.823000 0.731000 0.744000 0.653000 0.874000 0.856000 0.898000 0.600000 0.682000 0.655000 0.636000 0.820000 0.913000 0.634000 0.698000 0.643000 0.660000 0.786000 0.913000 0.687000 0.676000 0.650000 0.615000 AAC40 50 0.756000 0.819000 0.738000 0.742000 0.629000 0.870000 0.851000 0.898000 0.602000 0.685000 0.668000 0.643000 0.814000 0.913000 0.640000 0.706000 0.655000 0.659000 0.775000 0.910000 0.682000 0.680000 0.652000 0.611000 AAC41 51 0.751000 0.822000 0.734000 0.740000 0.637000 0.882000 0.854000 0.896000 0.600000 0.684000 0.655000 0.644000 0.805000 0.914000 0.636000 0.695000 0.653000 0.661000 0.779000 0.912000 0.685000 0.691000 0.653000 0.607000 AAC42 68 0.761000 0.811000 0.731000 0.742000 0.635000 0.868000 0.861000 0.895000 0.604000 0.676000 0.648000 0.633000 0.816000 0.916000 0.636000 0.705000 0.657000 0.662000 0.799000 0.916000 0.681000 0.674000 0.646000 0.612000 AAC43 55 0.767000 0.815000 0.731000 0.740000 0.631000 0.871000 0.848000 0.899000 0.603000 0.681000 0.649000 0.639000 0.807000 0.913000 0.632000 0.701000 0.655000 0.661000 0.782000 0.914000 0.681000 0.676000 0.646000 0.625000 AAC44 65 0.758000 0.825000 0.734000 0.741000 0.621000 0.875000 0.855000 0.902000 0.588000 0.678000 0.657000 0.633000 0.810000 0.913000 0.635000 0.696000 0.658000 0.660000 0.780000 0.923000 0.682000 0.677000 0.653000 0.611000 AAC45 56 0.760000 0.823000 0.733000 0.741000 0.629000 0.873000 0.844000 0.893000 0.610000 0.681000 0.654000 0.635000 0.809000 0.907000 0.632000 0.702000 0.646000 0.672000 0.774000 0.914000 0.684000 0.681000 0.648000 0.612000 AAC46 54 0.759000 0.812000 0.733000 0.739000 0.626000 0.872000 0.843000 0.896000 0.599000 0.679000 0.644000 0.637000 0.810000 0.914000 0.631000 0.696000 0.667000 0.664000 0.779000 0.912000 0.681000 0.676000 0.650000 0.623000 AAC47 31 0.748000 0.817000 0.717000 0.738000 0.624000 0.882000 0.855000 0.896000 0.602000 0.675000 0.648000 0.627000 0.819000 0.910000 0.636000 0.694000 0.652000 0.653000 0.800000 0.916000 0.684000 0.672000 0.649000 0.605000 AAC48 30 0.771000 0.803000 0.723000 0.737000 0.626000 0.857000 0.848000 0.891000 0.603000 0.673000 0.657000 0.631000 0.813000 0.912000 0.638000 0.695000 0.662000 0.658000 0.776000 0.910000 0.674000 0.679000 0.648000 0.619000 AAC49 27 0.758000 0.807000 0.731000 0.751000 0.630000 0.850000 0.853000 0.892000 0.590000 0.675000 0.651000 0.633000 0.815000 0.914000 0.631000 0.696000 0.647000 0.660000 0.784000 0.904000 0.679000 0.677000 0.646000 0.615000 AAC50 32 0.762000 0.802000 0.728000 0.734000 0.620000 0.855000 0.831000 0.903000 0.607000 0.671000 0.645000 0.640000 0.800000 0.910000 0.641000 0.692000 0.650000 0.671000 0.773000 0.908000 0.687000 0.678000 0.649000 0.623000 AAC51 20 0.768000 0.802000 0.727000 0.737000 0.610000 0.865000 0.836000 0.894000 0.605000 0.668000 0.641000 0.632000 0.802000 0.902000 0.626000 0.697000 0.652000 0.660000 0.767000 0.903000 0.680000 0.691000 0.653000 0.614000 AAC52 14 0.755000 0.802000 0.729000 0.740000 0.613000 0.867000 0.814000 0.886000 0.601000 0.672000 0.644000 0.632000 0.796000 0.901000 0.631000 0.691000 0.650000 0.668000 0.755000 0.901000 0.683000 0.667000 0.650000 0.633000 AAC53 21 0.765000 0.798000 0.729000 0.732000 0.629000 0.862000 0.782000 0.885000 0.614000 0.661000 0.647000 0.638000 0.759000 0.905000 0.630000 0.681000 0.640000 0.658000 0.747000 0.899000 0.674000 0.671000 0.643000 0.616000 AAC54 11 0.743000 0.780000 0.699000 0.714000 0.619000 0.844000 0.840000 0.895000 0.587000 0.669000 0.622000 0.624000 0.806000 0.926000 0.628000 0.671000 0.620000 0.656000 0.770000 0.911000 0.685000 0.651000 0.623000 0.620000 AAC55 8 0.747000 0.769000 0.710000 0.726000 0.580000 0.835000 0.732000 0.832000 0.595000 0.640000 0.590000 0.630000 0.745000 0.866000 0.630000 0.667000 0.618000 0.680000 0.723000 0.843000 0.656000 0.637000 0.604000 0.620000 AAC56 4 0.782000 0.738000 0.687000 0.710000 0.570000 0.768000 0.685000 0.857000 0.596000 0.610000 0.584000 0.636000 0.687000 0.886000 0.625000 0.651000 0.606000 0.668000 0.691000 0.859000 0.670000 0.602000 0.601000 0.617000 AAC57 5 0.768000 0.734000 0.684000 0.713000 0.571000 0.774000 0.663000 0.843000 0.600000 0.613000 0.599000 0.639000 0.689000 0.873000 0.631000 0.633000 0.621000 0.668000 0.677000 0.855000 0.670000 0.619000 0.600000 0.629000 AAC58 6 0.776000 0.775000 0.701000 0.715000 0.594000 0.817000 0.662000 0.800000 0.599000 0.628000 0.546000 0.635000 0.675000 0.825000 0.629000 0.653000 0.568000 0.671000 0.666000 0.803000 0.665000 0.633000 0.556000 0.619000 AAC59 3 0.794000 0.725000 0.680000 0.710000 0.570000 0.802000 0.600000 0.797000 0.600000 0.589000 0.565000 0.628000 0.632000 0.859000 0.619000 0.592000 0.562000 0.670000 0.623000 0.815000 0.649000 0.585000 0.568000 0.615000 AAC60 3 0.789000 0.653000 0.656000 0.675000 0.563000 0.772000 0.636000 0.783000 0.590000 0.626000 0.535000 0.635000 0.670000 0.830000 0.637000 0.639000 0.529000 0.677000 0.670000 0.813000 0.645000 0.613000 0.546000 0.613000 You can for example select the scale set with the best performance for the ‘SEQ_CAPSID’ dataset as follows:
# Sort 'df_top60_eval' by 'SEQ_CAPSID' and get the index of the top row top_id = df_top60_eval.sort_values(by="SEQ_CAPSID", ascending=False).index[0] # Create a boolean mask from the row corresponding to 'top_id' in 'df_top60' mask = df_top60.loc[top_id].astype(bool).values # Apply the mask to the transpose of 'df_scales' and then transpose it back df_scales_filtered = df_scales.T[mask].T df_cat_filtered = df_cat[df_cat["scale_id"].isin(df_scales_filtered)] aa.display_df(df_cat_filtered, show_shape=True)
DataFrame shape: (101, 5)
scale_id category subcategory scale_name scale_description 45 BULH740102 ASA/Volume Partial specific volume Partial specific volume Apparent par...reese, 1974) 88 DIGM050101 Composition AA composition (surface) Hydrostatic pressure Hydrostatic ...iulio, 2005) 90 FUKS010103 Composition AA composition (surface) Proteins of ...philes (EXT) Surface comp...ikawa, 2001) 122 GRAR740101 Composition Unclassified...Composition) Substitution Frequency Composition ...ntham, 1974) 128 QIAN880130 Conformation Coil Coil Weights for ...owski, 1988) 135 CHOP780207 Conformation Coil Non helical ...(C-terminal) Normalized f...sman, 1978b) 139 ROBB760107 Conformation Coil (C-term) Coil (C-terminal) Information ...uzuki, 1976) 140 QIAN880127 Conformation Coil (N-term) Coil (N-terminal) Weights for ...owski, 1988) 141 QIAN880128 Conformation Coil (N-term) Coil (N-terminal) Weights for ...owski, 1988) 152 AURR980118 Conformation Linker (6-14 AA) α-helix (C-t...al, outside) Normalized p...-Rose, 1998) 153 AURR980101 Conformation Linker (6-14 AA) α-helix (N-t...al, outside) Normalized p...-Rose, 1998) 155 QIAN880139 Conformation Unclassified...onformation) Coil (C-terminal) Weights for ...owski, 1988) 156 QIAN880129 Conformation Unclassified...onformation) Coil (N-terminal) Weights for ...owski, 1988) 157 ISOY800107 Conformation Unclassified...onformation) Double bend Normalized r...t al., 1980) 158 VASM830103 Conformation Unclassified...onformation) Extended Relative pop...t al., 1983) 160 RACS820112 Conformation Unclassified...onformation) Extended (right-handed) Average rela...eraga, 1982) 161 VASM830101 Conformation Unclassified...onformation) α-helix Relative pop...t al., 1983) 162 RICJ880114 Conformation Unclassified...onformation) α-helix (C-t...nal, inside) Relative pre...rdson, 1988) 163 AURR980120 Conformation Unclassified...onformation) α-helix (C-t...al, outside) Normalized p...-Rose, 1998) 164 RICJ880117 Conformation Unclassified...onformation) α-helix (C-t...al, outside) Relative pre...rdson, 1988) 165 RACS820103 Conformation Unclassified...onformation) α-helix (left-handed) Average rela...eraga, 1982) 166 RICJ880108 Conformation Unclassified...onformation) α-helix (middle) Relative pre...rdson, 1988) 167 RICJ880104 Conformation Unclassified...onformation) α-helix (N-t...nal, inside) Relative pre...rdson, 1988) 168 QIAN880101 Conformation Unclassified...onformation) α-helix (N-terminal) Weights for ...owski, 1988) 169 GEIM800103 Conformation Unclassified...onformation) α-helix (β-proteins) Alpha-helix ...berts, 1980) 170 CHAM830102 Conformation Unclassified...onformation) β-sheet A parameter ...arton, 1983) 171 QIAN880117 Conformation Unclassified...onformation) β-sheet Weights for ...owski, 1988) 198 RICJ880112 Conformation α-helix α-helix Relative pre...rdson, 1988) 212 RICJ880113 Conformation α-helix (C-cap) α-helix (C-t...nal, inside) Relative pre...rdson, 1988) 218 TANS770102 Conformation α-helix (C-term, out) α-helix (C-t...al, outside) Normalized f...eraga, 1977) 237 PALJ810113 Conformation α-helix (left-handed) β-turn (α class) Normalized f...t al., 1981) 238 CHOP780206 Conformation α-helix (N-cap) Non helical ...(N-terminal) Normalized f...sman, 1978b) 241 RICJ880103 Conformation α-helix (N-cap) α-helix (N-t...inal, N-cap) Relative pre...rdson, 1988) 243 AURR980103 Conformation α-helix (N-term, out) α-helix (N-t...al, outside) Normalized p...-Rose, 1998) 244 RICJ880101 Conformation α-helix (N-term, out) α-helix (N-t...al, outside) Relative pre...rdson, 1988) 247 QIAN880102 Conformation α-helix (N-term) α-helix (N-t...nal, inside) Weights for ...owski, 1988) 250 RICJ880105 Conformation α-helix (N-term) α-helix (N-terminal) Relative pre...rdson, 1988) 254 QIAN880103 Conformation α-helix (α-proteins) α-helix (N-t...nal, inside) Weights for ...owski, 1988) 255 RACS820102 Conformation α-helix (α-proteins) α-helix (right-handed) Average rela...eraga, 1982) 256 GEIM800102 Conformation α-helix (α-proteins) α-helix (α-proteins) Alpha-helix ...berts, 1980) 271 PALJ810111 Conformation β-sheet β-sheet Normalized f...t al., 1981) 280 QIAN880124 Conformation β-sheet (C-term) β-sheet (C-terminal) Weights for ...owski, 1988) 283 CHOP780212 Conformation β-sheet (C-term) β-turn (1st residue) Frequency of...sman, 1978b) 284 KOEP990102 Conformation β-sheet (N-term) Extended (de...ned β-sheet) Beta-sheet p...evitt, 1999) 285 RACS820101 Conformation β-sheet (N-term) α-helix with...tructure (i) Average rela...eraga, 1982) 287 QIAN880115 Conformation β-sheet (N-term) β-sheet (N-terminal) Weights for ...owski, 1988) 314 LEWP710101 Conformation β-turn β-turn Frequency of...t al., 1971) 325 RACS820107 Conformation β-turn (C-term) α-helix with...ucture (i+1) Average rela...eraga, 1982) 327 CHOP780214 Conformation β-turn (C-term) β-turn (3rd residue) Frequency of...sman, 1978b) 329 CHOP780215 Conformation β-turn (C-term) β-turn (4th residue) Frequency of...sman, 1978b) 330 ROBB760111 Conformation β-turn (C-term) β-turn (C-terminal) Information ...uzuki, 1976) 331 GEIM800109 Conformation β-turn (N-term) Aperiodic indices Aperiodic in...berts, 1980) 339 TANS770106 Conformation β-turn (TM helix) β-turn in double bend Normalized f...eraga, 1977) 341 TANS770108 Conformation β/α-bridge β/α-bridge Normalized f...eraga, 1977) 344 RICJ880111 Conformation π-helix α-helix Relative pre...rdson, 1988) 348 CHAM830108 Energy Charge Charge (donor) A parameter ...arton, 1983) 350 CHAM830107 Energy Charge (negative) Charge (transfer) A parameter ...arton, 1983) 351 FAUJ880111 Energy Charge (positive) Charge (positive) Positive cha...t al., 1988) 354 VELV850101 Energy Electron-ion...raction pot. Electron-ion...on potential Electron-ion...t al., 1985) 365 YUTK870103 Energy Free energy (unfolding) Free energy (unfolding) Activation G...t al., 1987) 374 VASM830102 Energy Non-bonded energy Free energy (Extended) Relative pop...t al., 1983) 378 WERD780103 Energy Unclassified (Energy) Free energy (α-helix) Free energy ...eraga, 1978) 379 WERD780104 Energy Unclassified (Energy) Free energy (α-helix) Free energy ...eraga, 1978) 380 WERD780102 Energy Unclassified (Energy) Free energy change Free energy ...eraga, 1978) 381 HUTJ700101 Energy Unclassified (Energy) Heat capactiy Heat capacit...chens, 1970) 382 OOBM850103 Energy Unclassified (Energy) Transfer fre...energy (TFE) Optimized tr...t al., 1985) 383 DAYM780201 Others Mutability Mutability Relative mut... al., 1978b) 386 SNEP660101 Others PC 1 Principal Co...t 1 (Sneath) Principal co...neath, 1966) 388 SNEP660102 Others PC 2 Principal Co...t 2 (Sneath) Principal co...neath, 1966) 391 WOLS870103 Others PC 4 Principal Co...ent 3 (Wold) Principal pr...t al., 1987) 392 SNEP660104 Others PC 4 Principal Co...t 4 (Sneath) Principal co...neath, 1966) 395 VENT840101 Others Unclassified (Others) Bitterness Bitterness (...nanzi, 1984) 396 KHAG800101 Others Unclassified (Others) Kerr-constant The Kerr-con...Moore, 1980) 397 FASG760102 Others Unclassified (Others) Melting point Melting Poin...asman, 1976) 400 MITS020101 Polarity Amphiphilicity Amphiphilicity Amphiphilici...t al., 2002) 401 GARJ730101 Polarity Amphiphilicity Partition coefficient Partition Co...t al., 1973) 421 OOBM850104 Polarity Hydrophilicity Non-bonded e...rgy per atom Optimized av...t al., 1985) 443 ZIMJ680103 Polarity Hydrophilicity Polarity (hydrophilicity) Polarity (Zi...t al., 1968) 470 ZIMJ680101 Polarity Hydrophobicity Hydrophobicity Hydrophobici...t al., 1968) 485 CHAM820102 Polarity Hydrophobici... (interface) Free energy (interface) Free energy ...arton, 1982) 487 WILM950103 Polarity Hydrophobici... (interface) Hydrophobici... (interface) Hydrophobici...t al., 1995) 502 PONP800105 Polarity Hydrophobici...surrounding) Surrounding ...drophobicity Surrounding ...t al., 1980) 505 WILM950104 Polarity Unclassified (Polarity) Hydrophobicity Hydrophobici...t al., 1995) 507 FASG760105 Polarity Unclassified (Polarity) pK-C pK-C (Fasman, 1976) 509 JOND750102 Polarity Unclassified (Polarity) pK-C pK (-COOH) (Jones, 1975) 516 KARS160112 Shape Graph (2. eigenvalue) Eigenvalue (2. smallest) Second small...isley, 2016) 519 PRAM820101 Shape Reduced distance Intercept in regression Intercept in...swamy, 1982) 524 PRAM820103 Shape Shape and Surface Correlation ...n regression Correlation ...swamy, 1982) 526 PRAM820102 Shape Shape and Surface Slope in Regression Slope in Reg...swamy, 1982) 539 CHAM830104 Shape Side chain length n atoms in s... chain (2+1) The number o...arton, 1983) 540 CHAM830105 Shape Side chain length n atoms in s... chain (3+1) The number o...arton, 1983) 546 CHAM830103 Shape Steric parameter n atoms in s... chain (1+1) The number o...arton, 1983) 548 LEVM760103 Shape Steric parameter Side chain angle (theta) Side chain a...evitt, 1976) 552 KARS160118 Shape Unclassified (Shape) Atomic number (average) Average weig...isley, 2016) 553 KARS160110 Shape Unclassified (Shape) Eigenvalue (minimum) Minimum eige...isley, 2016) 554 KARS160120 Shape Unclassified (Shape) Eigenvalue (minimum) Weighted min...isley, 2016) 556 ROSM880103 Structure-Activity Backbone-dynamics (-CH) Loss of hydr...ix formation Loss of Side...seman, 1988) 559 BUNA790103 Structure-Activity Backbone-dynamics (-NH) Spin-spin coupling Spin-spin co...hrich, 1979) 571 OOBM850105 Structure-Activity Flexibility Side chain interaction Optimized si...t al., 1985) 579 OOBM850101 Structure-Activity Stability Stability (extended-coil) Optimized be...t al., 1985) 586 SUEM840102 Structure-Activity Unclassified...re-Activity) Stability (extended-coil) Zimm-Bragg p...t al., 1984)